组氨酸甲酯
TL;DR: 组氨酸甲酯 (CAS 1499-46-3) 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.
组氨酸甲酯
methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
Also Known As: Histidine methyl ester, Methyl L-histidinate, methyl histidinate, histidine methyl, L-Histidine, methyl ester
| 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 | 1499-46-3 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CN=CN1)N |
| InChIKey | BXRMEWOQUXOLDH-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
组氨酸甲酯 (CAS 1499-46-3), with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol. IUPAC: methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.
Chemical Property Profile of 组氨酸甲酯
Property Insights of 组氨酸甲酯
The XLogP value of -0.6 indicates that 组氨酸甲酯 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 组氨酸甲酯. Following Lipinski's Rule of Five, 组氨酸甲酯 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 组氨酸甲酯?
The CAS number of 组氨酸甲酯 is 1499-46-3.
What is the molecular formula of 组氨酸甲酯?
The molecular formula of 组氨酸甲酯 is C7H11N3O2.
What is the molecular weight of 组氨酸甲酯?
The molecular weight of 组氨酸甲酯 is 169.09 g/mol.
Where can I buy 组氨酸甲酯?
You can request a quote for 组氨酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 组氨酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 组氨酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.