BAS 00379915
TL;DR: BAS 00379915 (CAS 5301-94-0) is a chemical compound with molecular formula C18H19NO5S2 and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzoic acid
Also Known As: BAS 00379915, 2-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzoic acid, AH-262/08804010, 2-[(2-{[3-(ethoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}-2-oxoethyl)thio]benzoic acid, A1754/0074452
| Molecular Formula | C18H19NO5S2 |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | 3.97064 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.07047 |
| Heavy Atoms | 26 |
| Complexity | 844.1022 |
Chemical Identifiers
| CAS Number | 5301-94-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=CC=CC=C2C(=O)O |
Product Overview
BAS 00379915 (CAS 5301-94-0), with molecular formula C18H19NO5S2 and molecular weight 393.07 g/mol. IUPAC: 2-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of BAS 00379915
Property Insights of BAS 00379915
The XLogP value of 3.97064 indicates that BAS 00379915 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00379915. Following Lipinski's Rule of Five, BAS 00379915 has 2 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 BAS 00379915?
The CAS number of BAS 00379915 is 5301-94-0.
What is the molecular formula of BAS 00379915?
The molecular formula of BAS 00379915 is C18H19NO5S2.
What is the molecular weight of BAS 00379915?
The molecular weight of BAS 00379915 is 393.07 g/mol.
Where can I buy BAS 00379915?
You can request a quote for BAS 00379915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00379915?
Yes, KEHONG BIO provides custom synthesis services for BAS 00379915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.