Histidine monoacetate
TL;DR: Histidine monoacetate (CAS 71173-63-2) is a chemical compound with molecular formula C8H13N3O4 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: L-Histidine acetate, Histidine monoacetate, L-Histidine, monoacetate, L-Histidine monoacetate, L-Histidine, acetate (1:1)
| Molecular Formula | C8H13N3O4 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | -0.545 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.0906 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 71173-63-2 |
|---|---|
| SMILES | CC(=O)O.C1=C(NC=N1)C[C@@H](C(=O)O)N |
| InChIKey | HABAJMUFCIDFOT-JEDNCBNOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Histidine monoacetate (CAS 71173-63-2), with molecular formula C8H13N3O4 and molecular weight 215.09 g/mol. IUPAC: acetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of Histidine monoacetate
Property Insights of Histidine monoacetate
The XLogP value of -0.545 indicates that Histidine monoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Histidine monoacetate. Following Lipinski's Rule of Five, Histidine monoacetate has 4 hydrogen bond donor(s) and 6 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 Histidine monoacetate?
The CAS number of Histidine monoacetate is 71173-63-2.
What is the molecular formula of Histidine monoacetate?
The molecular formula of Histidine monoacetate is C8H13N3O4.
What is the molecular weight of Histidine monoacetate?
The molecular weight of Histidine monoacetate is 215.09 g/mol.
Where can I buy Histidine monoacetate?
You can request a quote for Histidine monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histidine monoacetate?
Yes, KEHONG BIO provides custom synthesis services for Histidine monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.