BAS 00842030
TL;DR: BAS 00842030 (CAS 6044-85-5) is a chemical compound with molecular formula C16H10BrN3O2S2 and molecular weight 418.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Also Known As: BAS 00842030, N-{5-[(4-Bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pyridine-4-carboxamide, N-[(5Z)-5-[(4-BROMOPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-THIAZOLIDIN-3-YL]PYRIDINE-4-CARBOXAMIDE, N-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
| Molecular Formula | C16H10BrN3O2S2 |
|---|---|
| Molecular Weight | 418.94 g/mol |
| LogP | 3.3903 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.9398 |
| Heavy Atoms | 24 |
| Complexity | 838.1608 |
Chemical Identifiers
| CAS Number | 6044-85-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)Br |
Product Overview
BAS 00842030 (CAS 6044-85-5), with molecular formula C16H10BrN3O2S2 and molecular weight 418.94 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide.
Chemical Property Profile of BAS 00842030
Property Insights of BAS 00842030
The XLogP value of 3.3903 indicates that BAS 00842030 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 00842030. Following Lipinski's Rule of Five, BAS 00842030 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 00842030?
The CAS number of BAS 00842030 is 6044-85-5.
What is the molecular formula of BAS 00842030?
The molecular formula of BAS 00842030 is C16H10BrN3O2S2.
What is the molecular weight of BAS 00842030?
The molecular weight of BAS 00842030 is 418.94 g/mol.
Where can I buy BAS 00842030?
You can request a quote for BAS 00842030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00842030?
Yes, KEHONG BIO provides custom synthesis services for BAS 00842030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.