N-Acetyl-3-methyl-L-histidine
TL;DR: N-Acetyl-3-methyl-L-histidine (CAS 35836-41-0) 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.
(2S)-2-acetamido-3-(3-methylimidazol-4-yl)propanoic acid
Also Known As: N-Acetyl-3-methylhistidine, n-acetyl-3-methyl-l-histidine, L-Histidine, N-acetyl-3-methyl-, (2S)-2-acetamido-3-(3-methylimidazol-4-yl)propanoic acid, (2S)-2-acetamido-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
| Molecular Formula | C9H13N3O3 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.09569 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 35836-41-0 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CN=CN1C)C(=O)O |
| InChIKey | FKTXRTPBUWLETL-QMMMGPOBSA-N |
Product Overview
N-Acetyl-3-methyl-L-histidine (CAS 35836-41-0), with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol. IUPAC: (2S)-2-acetamido-3-(3-methylimidazol-4-yl)propanoic acid.
Chemical Property Profile of N-Acetyl-3-methyl-L-histidine
Property Insights of N-Acetyl-3-methyl-L-histidine
The XLogP value of -0.7 indicates that N-Acetyl-3-methyl-L-histidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-3-methyl-L-histidine. Following Lipinski's Rule of Five, N-Acetyl-3-methyl-L-histidine 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-Acetyl-3-methyl-L-histidine?
The CAS number of N-Acetyl-3-methyl-L-histidine is 35836-41-0.
What is the molecular formula of N-Acetyl-3-methyl-L-histidine?
The molecular formula of N-Acetyl-3-methyl-L-histidine is C9H13N3O3.
What is the molecular weight of N-Acetyl-3-methyl-L-histidine?
The molecular weight of N-Acetyl-3-methyl-L-histidine is 211.10 g/mol.
Where can I buy N-Acetyl-3-methyl-L-histidine?
You can request a quote for N-Acetyl-3-methyl-L-histidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-3-methyl-L-histidine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-3-methyl-L-histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.