Histidine-methyl-ester
TL;DR: Histidine-methyl-ester (CAS 158982-84-4) is a chemical compound with molecular formula C7H12N3O2+ and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-amino-3-(1H-imidazol-3-ium-5-yl)propanoate
Also Known As: HISTIDINE-METHYL-ESTER, methyl 3-(1H-imidazol-3-ium-4-yl)-L-alaninate, methyl (2S)-2-amino-3-(1H-imidazol-3-ium-5-yl)propanoate, PVH
| Molecular Formula | C7H12N3O2+ |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | -1.1284 |
| Topological Polar Surface Area | 82.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.09296 |
| Heavy Atoms | 12 |
| Complexity | 245.16399 |
Chemical Identifiers
| CAS Number | 158982-84-4 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=C[NH+]=CN1)N |
Product Overview
Histidine-methyl-ester (CAS 158982-84-4), with molecular formula C7H12N3O2+ and molecular weight 170.09 g/mol. IUPAC: methyl (2S)-2-amino-3-(1H-imidazol-3-ium-5-yl)propanoate.
Chemical Property Profile of Histidine-methyl-ester
Property Insights of Histidine-methyl-ester
The XLogP value of -1.1284 indicates that Histidine-methyl-ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Histidine-methyl-ester. Following Lipinski's Rule of Five, Histidine-methyl-ester has 2 hydrogen bond donor(s) and 3 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-methyl-ester?
The CAS number of Histidine-methyl-ester is 158982-84-4.
What is the molecular formula of Histidine-methyl-ester?
The molecular formula of Histidine-methyl-ester is C7H12N3O2+.
What is the molecular weight of Histidine-methyl-ester?
The molecular weight of Histidine-methyl-ester is 170.09 g/mol.
Where can I buy Histidine-methyl-ester?
You can request a quote for Histidine-methyl-ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histidine-methyl-ester?
Yes, KEHONG BIO provides custom synthesis services for Histidine-methyl-ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.