(3S)-3-amino-4-(1H-indol-2-yl)butanoic acid
TL;DR: (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid (CAS 192003-01-3) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-amino-4-(1H-indol-2-yl)butanoic acid
Also Known As: L-beta-homotryptophan, (3S)-3-amino-4-(1H-indol-2-yl)butanoic Acid
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.5124 |
| Topological Polar Surface Area | 79.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 471.443 |
Chemical Identifiers
| CAS Number | 192003-01-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N2)C[C@@H](CC(=O)O)N |
Product Overview
(3S)-3-amino-4-(1H-indol-2-yl)butanoic acid (CAS 192003-01-3), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid.
Chemical Property Profile of (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid
Property Insights of (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid
The XLogP value of 1.5124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid. The TPSA of 79.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid. Following Lipinski's Rule of Five, (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid?
The CAS number of (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid is 192003-01-3.
What is the molecular formula of (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid?
The molecular formula of (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid is C12H14N2O2.
What is the molecular weight of (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid?
The molecular weight of (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid is 218.11 g/mol.
Where can I buy (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid?
You can request a quote for (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-amino-4-(1H-indol-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.