alpha-Methylhistidine
TL;DR: alpha-Methylhistidine (CAS 62075-22-3) is a chemical compound with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
Also Known As: alpha-Methylhistidine, alpha-methyl-l-histidine, Histidine, a-methyl-, Histidine, alpha-methyl-, (2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
| Molecular Formula | C7H11N3O2 |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.08513 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 62075-22-3 |
|---|---|
| SMILES | C[C@](CC1=CN=CN1)(C(=O)O)N |
| InChIKey | HRRYYCWYCMJNGA-ZETCQYMHSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Methylhistidine (CAS 62075-22-3), with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol. IUPAC: (2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid.
Chemical Property Profile of alpha-Methylhistidine
Property Insights of alpha-Methylhistidine
The XLogP value of -3.0 indicates that alpha-Methylhistidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Methylhistidine. Following Lipinski's Rule of Five, alpha-Methylhistidine has 3 hydrogen bond donor(s) and 4 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-Methylhistidine?
The CAS number of alpha-Methylhistidine is 62075-22-3.
What is the molecular formula of alpha-Methylhistidine?
The molecular formula of alpha-Methylhistidine is C7H11N3O2.
What is the molecular weight of alpha-Methylhistidine?
The molecular weight of alpha-Methylhistidine is 169.09 g/mol.
Where can I buy alpha-Methylhistidine?
You can request a quote for alpha-Methylhistidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methylhistidine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methylhistidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.