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CAS 101312-07-6 1H-Indole-3-propanoicacid,-alpha–hydroxy-,(-alpha-R)-(9CI) molecular structure lightbox
CAS RN: 101312-07-6

1H-Indole-3-propanoicacid,-alpha–hydroxy-,(-alpha-R)-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS101312-07-6
  • Purity/Analytical Methods: >99.0%
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101312-07-6 / (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid

Indole-3-lactic acid | dl-Indole-3-lactic acid | 2-Hydroxy-3-(1H-indol-3-yl)propanoic acid

Standard CAS: 101312-07-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101312-07-6
Multi CAS
Yes
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)O
InChI
InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m1/s1
InChIKey
XGILAAMKEQUXLS-SNVBAGLBSA-N
Synonyms
Indole-3-lactic acid dl-Indole-3-lactic acid 2-Hydroxy-3-(1H-indol-3-yl)propanoic acid 3-(Indol-3-yl)lactic acid alpha-Hydroxy-1H-indole-3-propanoic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
55.65
TPSA
73.32

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.5
Consensus LogP
1.23
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

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

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