N'-Methyl-L-histidine methyl ester
TL;DR: N'-Methyl-L-histidine methyl ester (CAS 57519-09-2) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoate
Also Known As: H-His(1-Me)-Ome, N'-Methyl-L-histidine methyl ester, H-His(1-Me)-OMe HCl, H-His(N, H-His(Ntau-Me)-OH
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | -0.5371 |
| Topological Polar Surface Area | 70.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 295.33417 |
Chemical Identifiers
| CAS Number | 57519-09-2 |
|---|---|
| SMILES | CN1C=C(N=C1)C[C@@H](C(=O)OC)N |
Product Overview
N'-Methyl-L-histidine methyl ester (CAS 57519-09-2), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: methyl (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoate.
Chemical Property Profile of N'-Methyl-L-histidine methyl ester
Property Insights of N'-Methyl-L-histidine methyl ester
The XLogP value of -0.5371 indicates that N'-Methyl-L-histidine methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-Methyl-L-histidine methyl ester. Following Lipinski's Rule of Five, N'-Methyl-L-histidine methyl ester has 1 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'-Methyl-L-histidine methyl ester?
The CAS number of N'-Methyl-L-histidine methyl ester is 57519-09-2.
What is the molecular formula of N'-Methyl-L-histidine methyl ester?
The molecular formula of N'-Methyl-L-histidine methyl ester is C8H13N3O2.
What is the molecular weight of N'-Methyl-L-histidine methyl ester?
The molecular weight of N'-Methyl-L-histidine methyl ester is 183.10 g/mol.
Where can I buy N'-Methyl-L-histidine methyl ester?
You can request a quote for N'-Methyl-L-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 N'-Methyl-L-histidine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N'-Methyl-L-histidine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.