N-(4-Aminobutanoyl)histidine
TL;DR: N-(4-Aminobutanoyl)histidine (CAS 3650-73-5) is a chemical compound with molecular formula C10H16N4O3 and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: Homocarnosine, L-Homocarnosine, Homocarnosine TFA, g-aminobutyrylhistidine, HISTIDINE, L-
| Molecular Formula | C10H16N4O3 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 240.12224 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 3650-73-5 |
|---|---|
| SMILES | C1=C(NC=N1)CC(C(=O)O)NC(=O)CCCN |
| InChIKey | CCLQKVKJOGVQLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Aminobutanoyl)histidine (CAS 3650-73-5), with molecular formula C10H16N4O3 and molecular weight 240.12 g/mol. IUPAC: 2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of N-(4-Aminobutanoyl)histidine
Property Insights of N-(4-Aminobutanoyl)histidine
The XLogP value of -3.6 indicates that N-(4-Aminobutanoyl)histidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Aminobutanoyl)histidine. Following Lipinski's Rule of Five, N-(4-Aminobutanoyl)histidine has 4 hydrogen bond donor(s) and 5 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 N-(4-Aminobutanoyl)histidine?
The CAS number of N-(4-Aminobutanoyl)histidine is 3650-73-5.
What is the molecular formula of N-(4-Aminobutanoyl)histidine?
The molecular formula of N-(4-Aminobutanoyl)histidine is C10H16N4O3.
What is the molecular weight of N-(4-Aminobutanoyl)histidine?
The molecular weight of N-(4-Aminobutanoyl)histidine is 240.12 g/mol.
Where can I buy N-(4-Aminobutanoyl)histidine?
You can request a quote for N-(4-Aminobutanoyl)histidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Aminobutanoyl)histidine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Aminobutanoyl)histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.