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CAS 57432-62-9 L-2-AMINO-3-(5-HYDROXYINDOLYL)PROPIONIC ACID ETHYL ESTER HYDROCHLORIDE molecular structure lightbox
CAS RN: 57432-62-9

L-2-AMINO-3-(5-HYDROXYINDOLYL)PROPIONIC ACID ETHYL ESTER HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250615 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS57432-62-9
  • Purity/Analytical Methods: >99.0%
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57432-62-9 / ethyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;hydrochloride

Standard CAS: 57432-62-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57432-62-9
Multi CAS
Yes
Molecular Formula
C13H17CLN2O3
Molecular Weight
284.740000
Exact Mass
284.092770
InChI
InChI=1S/C13H16N2O3.ClH/c1-2-18-13(17)11(14)5-8-7-15-12-4-3-9(16)6-10(8)12;/h3-4,6-7,11,15-16H,2,5,14H2,1H3;1H/t11-;/m0./s1
InChIKey
ZPSOVZKVIHRWEL-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
75.52
TPSA
88.34

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.73
Consensus LogP
1.66
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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