BAS 00472998
TL;DR: BAS 00472998 (CAS 1261158-82-0) is a chemical compound with molecular formula C15H14ClNO3S2 and molecular weight 355.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
Also Known As: BAS 00472998, BIM-0026141.P001, AB00090689-01, 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid, F0385-0540
| Molecular Formula | C15H14ClNO3S2 |
|---|---|
| Molecular Weight | 355.01 g/mol |
| LogP | 3.6504 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.01038 |
| Heavy Atoms | 22 |
| Complexity | 672.50635 |
Chemical Identifiers
| CAS Number | 1261158-82-0 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)/C(=C/C2=CC=CC=C2Cl)/SC1=S |
Product Overview
BAS 00472998 (CAS 1261158-82-0), with molecular formula C15H14ClNO3S2 and molecular weight 355.01 g/mol. IUPAC: 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of BAS 00472998
Property Insights of BAS 00472998
The XLogP value of 3.6504 indicates that BAS 00472998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, BAS 00472998 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00472998 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 00472998?
The CAS number of BAS 00472998 is 1261158-82-0.
What is the molecular formula of BAS 00472998?
The molecular formula of BAS 00472998 is C15H14ClNO3S2.
What is the molecular weight of BAS 00472998?
The molecular weight of BAS 00472998 is 355.01 g/mol.
Where can I buy BAS 00472998?
You can request a quote for BAS 00472998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00472998?
Yes, KEHONG BIO provides custom synthesis services for BAS 00472998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.