N-Acetylhistidine, methyl ester
TL;DR: N-Acetylhistidine, methyl ester (CAS 2129593-49-1) is a chemical compound with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate
Also Known As: N-Acetylhistidine, methyl ester, N-Benzoyl-L-histidine methyl ester, L-Histidine, N-acetyl-, methyl ester, (S)-Methyl 2-acetamido-3-(1H-imidazol-4-yl)propanoate, methyl 2-acetamido-3-(1H-imidazol-4-yl)propanoate
| Molecular Formula | C9H13N3O3 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.09569 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 2129593-49-1 |
|---|---|
| SMILES | CC(=O)NC(CC1=CN=CN1)C(=O)OC |
| InChIKey | FWHBBEZPJALIIF-UHFFFAOYSA-N |
Product Overview
N-Acetylhistidine, methyl ester (CAS 2129593-49-1), with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol. IUPAC: methyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate.
Chemical Property Profile of N-Acetylhistidine, methyl ester
Property Insights of N-Acetylhistidine, methyl ester
The XLogP value of -0.4 indicates that N-Acetylhistidine, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetylhistidine, methyl ester. Following Lipinski's Rule of Five, N-Acetylhistidine, methyl ester has 2 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 N-Acetylhistidine, methyl ester?
The CAS number of N-Acetylhistidine, methyl ester is 2129593-49-1.
What is the molecular formula of N-Acetylhistidine, methyl ester?
The molecular formula of N-Acetylhistidine, methyl ester is C9H13N3O3.
What is the molecular weight of N-Acetylhistidine, methyl ester?
The molecular weight of N-Acetylhistidine, methyl ester is 211.10 g/mol.
Where can I buy N-Acetylhistidine, methyl ester?
You can request a quote for N-Acetylhistidine, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylhistidine, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylhistidine, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.