BAS 00778440
TL;DR: BAS 00778440 (CAS 300818-99-9) is a chemical compound with molecular formula C18H13ClN2O4S2 and molecular weight 420.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: BAS 00778440, (3-chlorophenyl)-N-{5-[(4-hydroxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo(1, 3-thiazolidin-3-yl)}carboxamide, (Z)-3-chloro-N-(5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, 3-chloro-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, 3-chloro-N-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
| Molecular Formula | C18H13ClN2O4S2 |
|---|---|
| Molecular Weight | 420.00 g/mol |
| LogP | 3.6004 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.00052 |
| Heavy Atoms | 27 |
| Complexity | 977.58405 |
Chemical Identifiers
| CAS Number | 300818-99-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC(=CC=C3)Cl)O |
Product Overview
BAS 00778440 (CAS 300818-99-9), with molecular formula C18H13ClN2O4S2 and molecular weight 420.00 g/mol. IUPAC: 3-chloro-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of BAS 00778440
Property Insights of BAS 00778440
The XLogP value of 3.6004 indicates that BAS 00778440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00778440. Following Lipinski's Rule of Five, BAS 00778440 has 2 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 00778440?
The CAS number of BAS 00778440 is 300818-99-9.
What is the molecular formula of BAS 00778440?
The molecular formula of BAS 00778440 is C18H13ClN2O4S2.
What is the molecular weight of BAS 00778440?
The molecular weight of BAS 00778440 is 420.00 g/mol.
Where can I buy BAS 00778440?
You can request a quote for BAS 00778440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778440?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.