BAS 00449663
TL;DR: BAS 00449663 (CAS 332406-97-0) is a chemical compound with molecular formula C19H13N3O6S2 and molecular weight 443.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00449663, (5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, 3-allyl-5-(4-{2,4-bisnitrophenoxy}benzylidene)-2-thioxo-1,3-thiazolidin-4-one, 3-Allyl-5-[4-(2,4-dinitro-phenoxy)-benzylidene]-2-thioxo-thiazolidin-4-one, (5E)-5-[4-(2,4-dinitrophenoxy)benzylidene]-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C19H13N3O6S2 |
|---|---|
| Molecular Weight | 443.02 g/mol |
| LogP | 4.6825 |
| Topological Polar Surface Area | 115.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.02457 |
| Heavy Atoms | 30 |
| Complexity | 1097.9486 |
Chemical Identifiers
| CAS Number | 332406-97-0 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/SC1=S |
Product Overview
BAS 00449663 (CAS 332406-97-0), with molecular formula C19H13N3O6S2 and molecular weight 443.02 g/mol. IUPAC: (5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00449663
Property Insights of BAS 00449663
The XLogP value of 4.6825 indicates that BAS 00449663 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00449663. Following Lipinski's Rule of Five, BAS 00449663 has 0 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 00449663?
The CAS number of BAS 00449663 is 332406-97-0.
What is the molecular formula of BAS 00449663?
The molecular formula of BAS 00449663 is C19H13N3O6S2.
What is the molecular weight of BAS 00449663?
The molecular weight of BAS 00449663 is 443.02 g/mol.
Where can I buy BAS 00449663?
You can request a quote for BAS 00449663 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00449663?
Yes, KEHONG BIO provides custom synthesis services for BAS 00449663 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.