3-Carboxymethylhistidine
TL;DR: 3-Carboxymethylhistidine (CAS 2930-79-2) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-[3-(carboxymethyl)imidazol-4-yl]propanoic acid
Also Known As: 3-Carboxymethylhistidine, 3-(Carboxymethyl)histidine, 3-(Carboxymethyl)-L-histidine, L-Histidine, 3-(carboxymethyl)-, (2S)-2-amino-3-[3-(carboxymethyl)imidazol-4-yl]propanoic aci
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 2930-79-2 |
|---|---|
| SMILES | C1=C(N(C=N1)CC(=O)O)C[C@@H](C(=O)O)N |
| InChIKey | CHEAAAHBJYHHLA-LURJTMIESA-N |
Product Overview
3-Carboxymethylhistidine (CAS 2930-79-2), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: (2S)-2-amino-3-[3-(carboxymethyl)imidazol-4-yl]propanoic acid.
Chemical Property Profile of 3-Carboxymethylhistidine
Property Insights of 3-Carboxymethylhistidine
The XLogP value of -3.6 indicates that 3-Carboxymethylhistidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxymethylhistidine. Following Lipinski's Rule of Five, 3-Carboxymethylhistidine has 3 hydrogen bond donor(s) and 6 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 3-Carboxymethylhistidine?
The CAS number of 3-Carboxymethylhistidine is 2930-79-2.
What is the molecular formula of 3-Carboxymethylhistidine?
The molecular formula of 3-Carboxymethylhistidine is C8H11N3O4.
What is the molecular weight of 3-Carboxymethylhistidine?
The molecular weight of 3-Carboxymethylhistidine is 213.07 g/mol.
Where can I buy 3-Carboxymethylhistidine?
You can request a quote for 3-Carboxymethylhistidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxymethylhistidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxymethylhistidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.