BAS 00842042
TL;DR: BAS 00842042 (CAS 301687-52-5) is a chemical compound with molecular formula C16H9Cl2N3O2S2 and molecular weight 408.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
Also Known As: BAS 00842042, AE-641/12113056, N-[(5Z)-5-(2,6-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide, (Z)-N-(5-(2,6-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)nicotinamide, N-[5-(2,6-Dichloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-nicotinamide
| Molecular Formula | C16H9Cl2N3O2S2 |
|---|---|
| Molecular Weight | 408.95 g/mol |
| LogP | 3.9346 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.95132 |
| Heavy Atoms | 25 |
| Complexity | 883.25775 |
Chemical Identifiers
| CAS Number | 301687-52-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CN=CC=C3)Cl |
Product Overview
BAS 00842042 (CAS 301687-52-5), with molecular formula C16H9Cl2N3O2S2 and molecular weight 408.95 g/mol. IUPAC: N-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide.
Chemical Property Profile of BAS 00842042
Property Insights of BAS 00842042
The XLogP value of 3.9346 indicates that BAS 00842042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00842042. Following Lipinski's Rule of Five, BAS 00842042 has 1 hydrogen bond donor(s) and 5 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 00842042?
The CAS number of BAS 00842042 is 301687-52-5.
What is the molecular formula of BAS 00842042?
The molecular formula of BAS 00842042 is C16H9Cl2N3O2S2.
What is the molecular weight of BAS 00842042?
The molecular weight of BAS 00842042 is 408.95 g/mol.
Where can I buy BAS 00842042?
You can request a quote for BAS 00842042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00842042?
Yes, KEHONG BIO provides custom synthesis services for BAS 00842042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.