Methyl L-histidinate dihydrochloride
TL;DR: Methyl L-histidinate dihydrochloride (CAS 738-98-7) is a chemical compound with molecular formula C7H13Cl2N3O2 and molecular weight 241.04 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-5-yl)propanoate;dihydrochloride
Also Known As: H-His-OMe.2HCl, L-Histidine methyl ester dihydrochloride, Methyl L-histidinate dihydrochloride, His-OMe.2HCl, H-His-Ome 2HCl
| Molecular Formula | C7H13Cl2N3O2 |
|---|---|
| Molecular Weight | 241.04 g/mol |
| LogP | 0.2961 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.03848 |
| Heavy Atoms | 14 |
| Complexity | 253.4474 |
Chemical Identifiers
| CAS Number | 738-98-7 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CN=CN1)N.Cl.Cl |
Product Overview
Methyl L-histidinate dihydrochloride (CAS 738-98-7), with molecular formula C7H13Cl2N3O2 and molecular weight 241.04 g/mol. IUPAC: methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride.
Chemical Property Profile of Methyl L-histidinate dihydrochloride
Property Insights of Methyl L-histidinate dihydrochloride
The XLogP value of 0.2961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl L-histidinate dihydrochloride. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl L-histidinate dihydrochloride. Following Lipinski's Rule of Five, Methyl L-histidinate dihydrochloride 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 Methyl L-histidinate dihydrochloride?
The CAS number of Methyl L-histidinate dihydrochloride is 738-98-7.
What is the molecular formula of Methyl L-histidinate dihydrochloride?
The molecular formula of Methyl L-histidinate dihydrochloride is C7H13Cl2N3O2.
What is the molecular weight of Methyl L-histidinate dihydrochloride?
The molecular weight of Methyl L-histidinate dihydrochloride is 241.04 g/mol.
Where can I buy Methyl L-histidinate dihydrochloride?
You can request a quote for Methyl L-histidinate dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl L-histidinate dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl L-histidinate dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.