![4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid structure](/static/products/934/93447-84-8.png)
4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid
TL;DR: 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid (CAS 93447-84-8) is a chemical compound with molecular formula C9H11NO3S and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(thiophen-2-ylmethylamino)butanoic acid
Also Known As: 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid, 4-oxo-4-(thiophen-2-ylmethylamino)butanoic acid, 4-oxo-4-[(thiophen-2-ylmethyl)amino]butanoic acid, 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid #, AS-662/43412951
| Molecular Formula | C9H11NO3S |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.04596 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 93447-84-8 |
|---|---|
| SMILES | C1=CSC(=C1)CNC(=O)CCC(=O)O |
| InChIKey | VAKOIYUDXVCKOV-UHFFFAOYSA-N |
Product Overview
4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid (CAS 93447-84-8), with molecular formula C9H11NO3S and molecular weight 213.05 g/mol. IUPAC: 4-oxo-4-(thiophen-2-ylmethylamino)butanoic acid.
Chemical Property Profile of 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid
Property Insights of 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid 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 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid?
The CAS number of 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid is 93447-84-8.
What is the molecular formula of 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid?
The molecular formula of 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid is C9H11NO3S.
What is the molecular weight of 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid?
The molecular weight of 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid is 213.05 g/mol.
Where can I buy 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid?
You can request a quote for 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-[(2-thienylmethyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.