Ethyl L-histidinate
TL;DR: Ethyl L-histidinate (CAS 7555-06-8) 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.
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
Also Known As: Ethyl L-histidinate, L-Histidineethylester, histidine ethyl ester, L-histidine ethyl ester, l-Histidine, ethyl ester
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 7555-06-8 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CN=CN1)N |
| InChIKey | ACHWEOLUTJAHLV-ZETCQYMHSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl L-histidinate (CAS 7555-06-8), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.
Chemical Property Profile of Ethyl L-histidinate
Property Insights of Ethyl L-histidinate
The XLogP value of -0.3 indicates that Ethyl L-histidinate 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 Ethyl L-histidinate. Following Lipinski's Rule of Five, Ethyl L-histidinate 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 Ethyl L-histidinate?
The CAS number of Ethyl L-histidinate is 7555-06-8.
What is the molecular formula of Ethyl L-histidinate?
The molecular formula of Ethyl L-histidinate is C8H13N3O2.
What is the molecular weight of Ethyl L-histidinate?
The molecular weight of Ethyl L-histidinate is 183.10 g/mol.
Where can I buy Ethyl L-histidinate?
You can request a quote for Ethyl L-histidinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl L-histidinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl L-histidinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.