BAS 00365481
TL;DR: BAS 00365481 (CAS 313684-68-3) is a chemical compound with molecular formula C11H7BrN2O4S2 and molecular weight 373.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00365481, AB00090252-01, (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-(3-bromo-2-hydroxy-5-nitrobenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one, 5-(3-Bromo-2-hydroxy-5-nitro-benzylidene)-3-methyl-2-thioxo-thiazolidin-4-one
| Molecular Formula | C11H7BrN2O4S2 |
|---|---|
| Molecular Weight | 373.90 g/mol |
| LogP | 2.8939 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.90305 |
| Heavy Atoms | 20 |
| Complexity | 674.63214 |
Chemical Identifiers
| CAS Number | 313684-68-3 |
|---|---|
| SMILES | CN1C(=O)/C(=C\C2=C(C(=CC(=C2)[N+](=O)[O-])Br)O)/SC1=S |
Product Overview
BAS 00365481 (CAS 313684-68-3), with molecular formula C11H7BrN2O4S2 and molecular weight 373.90 g/mol. IUPAC: (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00365481
Property Insights of BAS 00365481
The XLogP value of 2.8939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00365481. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00365481. Following Lipinski's Rule of Five, BAS 00365481 has 1 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 00365481?
The CAS number of BAS 00365481 is 313684-68-3.
What is the molecular formula of BAS 00365481?
The molecular formula of BAS 00365481 is C11H7BrN2O4S2.
What is the molecular weight of BAS 00365481?
The molecular weight of BAS 00365481 is 373.90 g/mol.
Where can I buy BAS 00365481?
You can request a quote for BAS 00365481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00365481?
Yes, KEHONG BIO provides custom synthesis services for BAS 00365481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.