BAS 00872042
TL;DR: BAS 00872042 (CAS 5755-76-0) is a chemical compound with molecular formula C14H12FNO3S2 and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00872042, BIM-0031732.P001, 4-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-[5-(3-Fluoro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-butyric acid, (Z)-4-(5-(3-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
| Molecular Formula | C14H12FNO3S2 |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 2.8917 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.02426 |
| Heavy Atoms | 21 |
| Complexity | 630.4001 |
Chemical Identifiers
| CAS Number | 5755-76-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
BAS 00872042 (CAS 5755-76-0), with molecular formula C14H12FNO3S2 and molecular weight 325.02 g/mol. IUPAC: 4-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of BAS 00872042
Property Insights of BAS 00872042
The XLogP value of 2.8917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00872042. With a topological polar surface area (TPSA) of 57.61 Ų, BAS 00872042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00872042 has 1 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 BAS 00872042?
The CAS number of BAS 00872042 is 5755-76-0.
What is the molecular formula of BAS 00872042?
The molecular formula of BAS 00872042 is C14H12FNO3S2.
What is the molecular weight of BAS 00872042?
The molecular weight of BAS 00872042 is 325.02 g/mol.
Where can I buy BAS 00872042?
You can request a quote for BAS 00872042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00872042?
Yes, KEHONG BIO provides custom synthesis services for BAS 00872042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.