N-Carbethoxyhistidine
TL;DR: N-Carbethoxyhistidine (CAS 27932-76-9) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(ethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: N-Carbethoxyhistidine, N-Ethoxyformylhistidine, (ethoxycarbonyl)-L-histidine, Nalpha-Carbethoxy-L-histidine, N-(ethoxycarbonyl)-L-histidine
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 27932-76-9 |
|---|---|
| SMILES | CCOC(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
| InChIKey | XSDVNQZWTFDETM-ZETCQYMHSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Carbethoxyhistidine (CAS 27932-76-9), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: (2S)-2-(ethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of N-Carbethoxyhistidine
Property Insights of N-Carbethoxyhistidine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Carbethoxyhistidine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Carbethoxyhistidine. Following Lipinski's Rule of Five, N-Carbethoxyhistidine has 3 hydrogen bond donor(s) and 5 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-Carbethoxyhistidine?
The CAS number of N-Carbethoxyhistidine is 27932-76-9.
What is the molecular formula of N-Carbethoxyhistidine?
The molecular formula of N-Carbethoxyhistidine is C9H13N3O4.
What is the molecular weight of N-Carbethoxyhistidine?
The molecular weight of N-Carbethoxyhistidine is 227.09 g/mol.
Where can I buy N-Carbethoxyhistidine?
You can request a quote for N-Carbethoxyhistidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Carbethoxyhistidine?
Yes, KEHONG BIO provides custom synthesis services for N-Carbethoxyhistidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.