3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid
TL;DR: 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid (CAS 13475-77-9) is a chemical compound with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(carboxymethylsulfanyl)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: 3-Cmthpa, 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid, 3-(carboxymethylsulfanyl)-3-(1H-imidazol-5-yl)propanoic acid, 4-(1H-Imidazole-4-yl)-3-thiahexanedioic acid, 1h-imidazole-4-propanoic acid,
| Molecular Formula | C8H10N2O4S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.03613 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 13475-77-9 |
|---|---|
| SMILES | C1=C(NC=N1)C(CC(=O)O)SCC(=O)O |
| InChIKey | WTABEOAFFKTPSV-UHFFFAOYSA-N |
Product Overview
3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid (CAS 13475-77-9), with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol. IUPAC: 3-(carboxymethylsulfanyl)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid
Property Insights of 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid
The XLogP value of -0.3 indicates that 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid. Following Lipinski's Rule of Five, 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid 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-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid?
The CAS number of 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid is 13475-77-9.
What is the molecular formula of 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid?
The molecular formula of 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid is C8H10N2O4S.
What is the molecular weight of 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid?
The molecular weight of 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid is 230.04 g/mol.
Where can I buy 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid?
You can request a quote for 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((Carboxymethyl)thio)-3-(1H-imidazol-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.