BAS 02066949
TL;DR: BAS 02066949 (CAS 315244-68-9) is a chemical compound with molecular formula C19H16N2O4S3 and molecular weight 432.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
Also Known As: BAS 02066949, 3-({4-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid, 3-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid, (E)-3-(4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamido)benzoic acid, 3-({4-[4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid
| Molecular Formula | C19H16N2O4S3 |
|---|---|
| Molecular Weight | 432.03 g/mol |
| LogP | 4.0664 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.02722 |
| Heavy Atoms | 28 |
| Complexity | 953.84814 |
Chemical Identifiers
| CAS Number | 315244-68-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S)C(=O)O |
Product Overview
BAS 02066949 (CAS 315244-68-9), with molecular formula C19H16N2O4S3 and molecular weight 432.03 g/mol. IUPAC: 3-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid.
Chemical Property Profile of BAS 02066949
Property Insights of BAS 02066949
The XLogP value of 4.0664 indicates that BAS 02066949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02066949. Following Lipinski's Rule of Five, BAS 02066949 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 02066949?
The CAS number of BAS 02066949 is 315244-68-9.
What is the molecular formula of BAS 02066949?
The molecular formula of BAS 02066949 is C19H16N2O4S3.
What is the molecular weight of BAS 02066949?
The molecular weight of BAS 02066949 is 432.03 g/mol.
Where can I buy BAS 02066949?
You can request a quote for BAS 02066949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02066949?
Yes, KEHONG BIO provides custom synthesis services for BAS 02066949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.