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[ CAS No. 4350-09-8 ] {[proInfo.proName]}

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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 4350-09-8
Chemical Structure| 4350-09-8
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Product Details of [ 4350-09-8 ]

CAS No. :4350-09-8 MDL No. :MFCD00064341
Formula : C11H12N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :LDCYZAJDBXYCGN-VIFPVBQESA-N
M.W : 220.22 Pubchem ID :439280
Synonyms :
5-Hydroxy-L-tryptophan;L-5-HTP;Oxitriptan, 5 Hydroxytryptophan, 5-hydroxy-L-tryptophan, 5-HTP, Oxytryptophan;L-oxitriptan;Oxitriptan;L-5-Hydroxytryptophan
Chemical Name :(S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

Calculated chemistry of [ 4350-09-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.18
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 4.0
Molar Refractivity : 59.38
TPSA : 99.34 ?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) : -8.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.65
Log Po/w (XLOGP3) : -1.17
Log Po/w (WLOGP) : 0.83
Log Po/w (MLOGP) : -2.22
Log Po/w (SILICOS-IT) : 1.05
Consensus Log Po/w : -0.17

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.69
Solubility : 45.3 mg/ml ; 0.206 mol/l
Class : Very soluble
Log S (Ali) : -0.42
Solubility : 83.1 mg/ml ; 0.377 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.18
Solubility : 1.44 mg/ml ; 0.00655 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.13

Safety of [ 4350-09-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P270-P264-P301+P310+P330-P405 UN#:2811
Hazard Statements:H301 Packing Group:
GHS Pictogram:
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