3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1)
TL;DR: 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1) (CAS 477250-51-4) is a chemical compound with molecular formula C12H15ClN2O2 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid;hydrochloride
Also Known As: L-beta-Homotryptophan hydrochloride, l-beta-homotryptophan hcl, L-beta-homotryptophan-HCl, L-beta-homotryptophan, H-b-HoTrp-OH.HCl
| Molecular Formula | C12H15ClN2O2 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 1.9342 |
| Topological Polar Surface Area | 79.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0822 |
| Heavy Atoms | 17 |
| Complexity | 509.92987 |
Chemical Identifiers
| CAS Number | 477250-51-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C[C@@H](CC(=O)O)N.Cl |
Product Overview
3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1) (CAS 477250-51-4), with molecular formula C12H15ClN2O2 and molecular weight 254.08 g/mol. IUPAC: (3S)-3-amino-4-(1H-indol-3-yl)butanoic acid;hydrochloride.
Chemical Property Profile of 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1)
Property Insights of 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1)
The XLogP value of 1.9342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1). 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--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1) 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--hydrogen chloride (1/1)?
The CAS number of 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1) is 477250-51-4.
What is the molecular formula of 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1)?
The molecular formula of 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1) is C12H15ClN2O2.
What is the molecular weight of 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1)?
The molecular weight of 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1) is 254.08 g/mol.
Where can I buy 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1)?
You can request a quote for 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1) 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--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(1H-indol-3-yl)butanoic acid--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.