[email protected]
CAS 149724-31-2 2-(3-INDOLYLMETHYL)-L-TRYPTOPHAN molecular structure lightbox
CAS RN: 149724-31-2

2-(3-INDOLYLMETHYL)-L-TRYPTOPHAN

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250507 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS149724-31-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

149724-31-2 / (2S)-2-amino-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid

Standard CAS: 149724-31-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149724-31-2
Multi CAS
No
Molecular Formula
C20H19N3O2
Molecular Weight
333.400000
Exact Mass
333.147727
SMILES
C1=CC=C2C(=C1)C(=CN2)CC3=C(C4=CC=CC=C4N3)C[C@@H](C(=O)O)N
InChI
InChI=1S/C20H19N3O2/c21-16(20(24)25)10-15-14-6-2-4-8-18(14)23-19(15)9-12-11-22-17-7-3-1-5-13(12)17/h1-8,11,16,22-23H,9-10,21H2,(H,24,25)/t16-/m0/s1
InChIKey
RNZFOWZVRUMXDQ-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
4
Molar refractivity
98.72
TPSA
94.9

LogP / Solubility

WLOGP
3.19
MLOGP
2.83
XLogP3
1
Consensus LogP
2.34
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us