BAS 00842038
TL;DR: BAS 00842038 (CAS 301687-48-9) is a chemical compound with molecular formula C19H17N3O5S2 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
Also Known As: BAS 00842038, (Z)-N-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)nicotinamide, N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]pyridine-3-carboxamide, N-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]pyridine-3-carboxamide, N-{4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene](1,3-thiazolidin-3-yl)} -3-pyridylcarboxamide
| Molecular Formula | C19H17N3O5S2 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 2.6536 |
| Topological Polar Surface Area | 89.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.06097 |
| Heavy Atoms | 29 |
| Complexity | 969.5892 |
Chemical Identifiers
| CAS Number | 301687-48-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CN=CC=C3 |
Product Overview
BAS 00842038 (CAS 301687-48-9), with molecular formula C19H17N3O5S2 and molecular weight 431.06 g/mol. IUPAC: N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]pyridine-3-carboxamide.
Chemical Property Profile of BAS 00842038
Property Insights of BAS 00842038
The XLogP value of 2.6536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00842038. The TPSA of 89.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00842038. Following Lipinski's Rule of Five, BAS 00842038 has 1 hydrogen bond donor(s) and 8 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 00842038?
The CAS number of BAS 00842038 is 301687-48-9.
What is the molecular formula of BAS 00842038?
The molecular formula of BAS 00842038 is C19H17N3O5S2.
What is the molecular weight of BAS 00842038?
The molecular weight of BAS 00842038 is 431.06 g/mol.
Where can I buy BAS 00842038?
You can request a quote for BAS 00842038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00842038?
Yes, KEHONG BIO provides custom synthesis services for BAS 00842038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.