histidine methyl ester, (D)-
TL;DR: histidine methyl ester, (D)- (CAS 4467-54-3) 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.
methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
Also Known As: D-histidine methyl ester, Methyl L-histidinate, R-Histidine Methyl Ester, D-Histidinemethyl ester, H-D-His-OMe 2 HCl
| Molecular Formula | C7H11N3O2 |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.08513 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 4467-54-3 |
|---|---|
| SMILES | COC(=O)[C@@H](CC1=CN=CN1)N |
| InChIKey | BXRMEWOQUXOLDH-ZCFIWIBFSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
histidine methyl ester, (D)- (CAS 4467-54-3), with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol. IUPAC: methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate.
Chemical Property Profile of histidine methyl ester, (D)-
Property Insights of histidine methyl ester, (D)-
The XLogP value of -0.6 indicates that histidine methyl ester, (D)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for histidine methyl ester, (D)-. Following Lipinski's Rule of Five, histidine methyl ester, (D)- 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 histidine methyl ester, (D)-?
The CAS number of histidine methyl ester, (D)- is 4467-54-3.
What is the molecular formula of histidine methyl ester, (D)-?
The molecular formula of histidine methyl ester, (D)- is C7H11N3O2.
What is the molecular weight of histidine methyl ester, (D)-?
The molecular weight of histidine methyl ester, (D)- is 169.09 g/mol.
Where can I buy histidine methyl ester, (D)-?
You can request a quote for histidine methyl ester, (D)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for histidine methyl ester, (D)-?
Yes, KEHONG BIO provides custom synthesis services for histidine methyl ester, (D)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.