BAS 00752276
TL;DR: BAS 00752276 (CAS 5741-61-7) is a chemical compound with molecular formula C18H14ClNO4S2 and molecular weight 407.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-(3-chlorophenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00752276, BIM-0029823.P001, A1714/0073069, (5E)-3-(3-chlorophenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(3-chlorophenyl)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C18H14ClNO4S2 |
|---|---|
| Molecular Weight | 407.01 g/mol |
| LogP | 4.4686 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.00528 |
| Heavy Atoms | 26 |
| Complexity | 904.1523 |
Chemical Identifiers
| CAS Number | 5741-61-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl |
Product Overview
BAS 00752276 (CAS 5741-61-7), with molecular formula C18H14ClNO4S2 and molecular weight 407.01 g/mol. IUPAC: (5E)-3-(3-chlorophenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00752276
Property Insights of BAS 00752276
The XLogP value of 4.4686 indicates that BAS 00752276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, BAS 00752276 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00752276 has 1 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 00752276?
The CAS number of BAS 00752276 is 5741-61-7.
What is the molecular formula of BAS 00752276?
The molecular formula of BAS 00752276 is C18H14ClNO4S2.
What is the molecular weight of BAS 00752276?
The molecular weight of BAS 00752276 is 407.01 g/mol.
Where can I buy BAS 00752276?
You can request a quote for BAS 00752276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00752276?
Yes, KEHONG BIO provides custom synthesis services for BAS 00752276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.