[ CAS No. 69901-85-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

2D 3D

Structure of 69901-85-5 * Storage: {[proInfo.prStorage]}

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}	Login		Inquiry

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 69901-85-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 69901-85-5 ]

SDS Specification

Alternatived Products of [ 69901-85-5 ]

Product Details of [ 69901-85-5 ]

CAS No. :	69901-85-5	MDL No. :	MFCD00191082
Formula :	C₁₆H₂₁NO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	CUSYTUPJAYLNFQ-CQSZACIVSA-N
M.W :	291.34	Pubchem ID :	14510026
Synonyms :

Calculated chemistry of [ 69901-85-5 ] Expand+

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.5
Num. rotatable bonds :	7
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	78.8
TPSA :	75.63 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.63 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.45
Log Po/w (XLOGP3) :	3.44
Log Po/w (WLOGP) :	2.79
Log Po/w (MLOGP) :	2.08
Log Po/w (SILICOS-IT) :	2.09
Consensus Log Po/w :	2.57

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.56
Solubility :	0.0797 mg/ml ; 0.000274 mol/l
Class :	Soluble
Log S (Ali) :	-4.71
Solubility :	0.00569 mg/ml ; 0.0000195 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-3.4
Solubility :	0.117 mg/ml ; 0.000403 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.0

Safety of [ 69901-85-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 69901-85-5 ]

* 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 [ 69901-85-5 ]

[ 69901-85-5 ] Synthesis Path-Downstream 1~13

1
[ 69901-85-5 ]
[ 127042-92-6 ]
[ 127042-93-7 ]

Reference： [1]Tetrahedron Letters,1989,vol. 30,p. 5227 - 5230

2
[ 127042-68-6 ]
[ 69901-85-5 ]

Reference： [1]Tetrahedron Letters,1989,vol. 30,p. 5227 - 5230

4
[ 69901-85-5 ]
[ 74-88-4 ]
(R)-(Benzyloxycarbonyl-methyl-amino)-cyclohexyl-acetic acid [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 1984 - 2008

5
N-(benzyloxycarbonyl)-α-dehydrocyclohexylglycine [ No CAS ]
[ 69901-75-3 ]
[ 69901-85-5 ]