alpha-Amino-1H-indole-3-butanoic acid
TL;DR: alpha-Amino-1H-indole-3-butanoic acid (CAS 6245-92-7) 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.
2-amino-4-(1H-indol-3-yl)butanoic acid
Also Known As: D,L-Homotryptophan, DL-Homotryptophan, 2-amino-4-(1H-indol-3-yl)butanoic Acid, HOMOTRYPTOPHAN, D/L-, A-Amino-G-(3-indole)butyric 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 | 6245-92-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCC(C(=O)O)N |
Product Overview
alpha-Amino-1H-indole-3-butanoic acid (CAS 6245-92-7), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 2-amino-4-(1H-indol-3-yl)butanoic acid.
Chemical Property Profile of alpha-Amino-1H-indole-3-butanoic acid
Property Insights of alpha-Amino-1H-indole-3-butanoic acid
The XLogP value of 1.5124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Amino-1H-indole-3-butanoic acid. The TPSA of 79.11 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Amino-1H-indole-3-butanoic acid. Following Lipinski's Rule of Five, alpha-Amino-1H-indole-3-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 alpha-Amino-1H-indole-3-butanoic acid?
The CAS number of alpha-Amino-1H-indole-3-butanoic acid is 6245-92-7.
What is the molecular formula of alpha-Amino-1H-indole-3-butanoic acid?
The molecular formula of alpha-Amino-1H-indole-3-butanoic acid is C12H14N2O2.
What is the molecular weight of alpha-Amino-1H-indole-3-butanoic acid?
The molecular weight of alpha-Amino-1H-indole-3-butanoic acid is 218.11 g/mol.
Where can I buy alpha-Amino-1H-indole-3-butanoic acid?
You can request a quote for alpha-Amino-1H-indole-3-butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Amino-1H-indole-3-butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Amino-1H-indole-3-butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.