3-amino-4-(1H-indol-3-yl)butanoic Acid
TL;DR: 3-amino-4-(1H-indol-3-yl)butanoic Acid (CAS 736131-01-4) 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.
3-amino-4-(1H-indol-3-yl)butanoic acid
Also Known As: L-beta-homotryptophan, 3-amino-4-(1H-indol-3-yl)butanoic Acid, 4-(INDOL-3-YL)-DL-beta-HOMOALANINE, 3-amino-4-indol-3-yl-butyric acid, (S)-beta-amino-1h-indole-3-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 | 504.443 |
Chemical Identifiers
| CAS Number | 736131-01-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(CC(=O)O)N |
Product Overview
3-amino-4-(1H-indol-3-yl)butanoic Acid (CAS 736131-01-4), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 3-amino-4-(1H-indol-3-yl)butanoic acid.
Chemical Property Profile of 3-amino-4-(1H-indol-3-yl)butanoic Acid
Property Insights of 3-amino-4-(1H-indol-3-yl)butanoic Acid
The XLogP value of 1.5124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-4-(1H-indol-3-yl)butanoic Acid. The TPSA of 79.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-4-(1H-indol-3-yl)butanoic Acid. Following Lipinski's Rule of Five, 3-amino-4-(1H-indol-3-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 3-amino-4-(1H-indol-3-yl)butanoic Acid?
The CAS number of 3-amino-4-(1H-indol-3-yl)butanoic Acid is 736131-01-4.
What is the molecular formula of 3-amino-4-(1H-indol-3-yl)butanoic Acid?
The molecular formula of 3-amino-4-(1H-indol-3-yl)butanoic Acid is C12H14N2O2.
What is the molecular weight of 3-amino-4-(1H-indol-3-yl)butanoic Acid?
The molecular weight of 3-amino-4-(1H-indol-3-yl)butanoic Acid is 218.11 g/mol.
Where can I buy 3-amino-4-(1H-indol-3-yl)butanoic Acid?
You can request a quote for 3-amino-4-(1H-indol-3-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 3-amino-4-(1H-indol-3-yl)butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-4-(1H-indol-3-yl)butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.