2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid
TL;DR: 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid (CAS 57079-19-3) is a chemical compound with molecular formula C9H13NO5S and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid
Also Known As: 2-Butenoic acid,4-[[1-carboxy-3-(methylthio)propyl]amino]-4-oxo-, (2Z)-
| Molecular Formula | C9H13NO5S |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.05144 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 57079-19-3 |
|---|---|
| SMILES | CSCCC(C(=O)O)NC(=O)C=CC(=O)O |
| InChIKey | FJZYCKGQUGEQLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid (CAS 57079-19-3), with molecular formula C9H13NO5S and molecular weight 247.05 g/mol. IUPAC: 2-(3-carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid
Property Insights of 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid
The XLogP value of -0.1 indicates that 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic 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 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid. Following Lipinski's Rule of Five, 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic 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 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid?
The CAS number of 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid is 57079-19-3.
What is the molecular formula of 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid?
The molecular formula of 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid is C9H13NO5S.
What is the molecular weight of 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid?
The molecular weight of 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid is 247.05 g/mol.
Where can I buy 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid?
You can request a quote for 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.