BAS 00682831
TL;DR: BAS 00682831 (CAS 301229-38-9) is a chemical compound with molecular formula C19H16ClNOS2 and molecular weight 373.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-chlorophenyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00682831, (5Z)-3-(3-chlorophenyl)-5-[4-(propan-2-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one, (Z)-3-(3-chlorophenyl)-5-(4-isopropylbenzylidene)-2-thioxothiazolidin-4-one, (5Z)-3-(3-chlorophenyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C19H16ClNOS2 |
|---|---|
| Molecular Weight | 373.04 g/mol |
| LogP | 5.8692 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.0362 |
| Heavy Atoms | 24 |
| Complexity | 827.5154 |
Chemical Identifiers
| CAS Number | 301229-38-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl |
Product Overview
BAS 00682831 (CAS 301229-38-9), with molecular formula C19H16ClNOS2 and molecular weight 373.04 g/mol. IUPAC: (5Z)-3-(3-chlorophenyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00682831
Property Insights of BAS 00682831
The XLogP value of 5.8692 indicates that BAS 00682831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, BAS 00682831 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00682831 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00682831?
The CAS number of BAS 00682831 is 301229-38-9.
What is the molecular formula of BAS 00682831?
The molecular formula of BAS 00682831 is C19H16ClNOS2.
What is the molecular weight of BAS 00682831?
The molecular weight of BAS 00682831 is 373.04 g/mol.
Where can I buy BAS 00682831?
You can request a quote for BAS 00682831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00682831?
Yes, KEHONG BIO provides custom synthesis services for BAS 00682831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.