[ CAS No. 64205-12-5 ] {[proInfo.proName]}

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2D 3D

Structure of 64205-12-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 64205-12-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 64205-12-5 ]

SDS Specification

Alternatived Products of [ 64205-12-5 ]

Product Details of [ 64205-12-5 ]

CAS No. :	64205-12-5	MDL No. :	MFCD00063031
Formula :	C₁₇H₁₇NO₅	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MCRMUCXATQAAMN-OAHLLOKOSA-N
M.W :	315.32	Pubchem ID :	736160
Synonyms :	Z-D-tyrosine	Chemical Name :	(R)-2-(((Benzyloxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid

Calculated chemistry of [ 64205-12-5 ] Expand+

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.18
Num. rotatable bonds :	8
Num. H-bond acceptors :	5.0
Num. H-bond donors :	3.0
Molar Refractivity :	83.39
TPSA :	95.86 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.97
Log Po/w (XLOGP3) :	1.72
Log Po/w (WLOGP) :	2.16
Log Po/w (MLOGP) :	1.93
Log Po/w (SILICOS-IT) :	1.91
Consensus Log Po/w :	1.94

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.74
Solubility :	0.578 mg/ml ; 0.00183 mol/l
Class :	Soluble
Log S (Ali) :	-3.35
Solubility :	0.141 mg/ml ; 0.000448 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.29
Solubility :	0.016 mg/ml ; 0.0000508 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.88

Safety of [ 64205-12-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 64205-12-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 64205-12-5 ]

[ 64205-12-5 ] Synthesis Path-Downstream 1~17

1
[ 64-17-5 ]
[ 5618-98-4 ]
[ 16679-94-0 ]
[ 64205-12-5 ]

Reference： [1]Synthetic Communications,1988,vol. 18,p. 441 - 444

2
[ 3417-91-2 ]
[ 64205-12-5 ]
Z-D-Tyr-L-Tyr-OMe [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,1993,vol. 66,p. 2633 - 2637

3
[ 64205-12-5 ]
[ 142355-81-5 ]
4-{4-[4-((R)-2-Benzyloxycarbonylamino-2-carboxy-ethyl)-phenoxy]-butyl}-piperidine-1-carboxylic acid tert-butyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1994,vol. 37,p. 2537 - 2551

4
[ 65559-51-5 ]
[ 64205-12-5 ]
{(S)-2-[(R)-2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-propionylamino]-3-phenyl-propionylamino}-acetic acid methyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1994,vol. 37,p. 4430 - 4437

5
[ 64205-12-5 ]
[(R)-1-Hydroxymethyl-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1973,vol. 16,p. 273 - 280

6
[ 6066-82-6 ]
[ 64205-12-5 ]
(R)-2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-propionic acid 2,5-dioxo-pyrrolidin-1-yl ester [ No CAS ]

Reference： [1]Tetrahedron,1999,vol. 55,p. 5157 - 5170

7
[ 556-02-5 ]
[ 75315-63-8 ]
[ 64205-12-5 ]

Reference： [1]Tetrahedron,1999,vol. 55,p. 5157 - 5170

8
[ 64205-12-5 ]
[ 77-78-1 ]
[ 65806-89-5 ]

Reference： [1]European Journal of Organic Chemistry,2004,p. 2131 - 2141
[2]Organic letters,2000,vol. 2,p. 1573 - 1575

9
[ 64205-12-5 ]
[ 77-78-1 ]
[ 339183-16-3 ]

Reference： [1]Journal of the Chinese Chemical Society,2001,vol. 48,p. 1 - 4

10
[ 5618-98-4 ]
[ 60-18-4 ]
[ 64205-12-5 ]

Reference： [1]Advanced Synthesis and Catalysis,2003,vol. 345,p. 830 - 834

11
[ 64205-12-5 ]
[ 626218-95-9 ]
[2-[4-(2-[tert-butoxycarbonyl-(2-thiophen-2-yl-ethyl)-amino]-methyl}-phenyl)-piperazin-1-yl]-1-(4-hydroxy-benzyl)-2-oxo-ethyl]-carbamic acid benzyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 2541 - 2546

12
[ 100-39-0 ]
[ 64205-12-5 ]
[ 920306-95-2 ]