BAS 00272652
TL;DR: BAS 00272652 (CAS 313530-38-0) is a chemical compound with molecular formula C15H14N2O5S2 and molecular weight 366.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00272652, (5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, 3-Allyl-5-(3-ethoxy-2-hydroxy-5-nitro-benzylidene)-2-thioxo-thiazolidin-4-one, (5E)-5-(3-ethoxy-2-hydroxy-5-nitrobenzylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[(3-ETHOXY-2-HYDROXY-5-NITROPHENYL)METHYLIDENE]-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C15H14N2O5S2 |
|---|---|
| Molecular Weight | 366.03 g/mol |
| LogP | 3.0863 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.03442 |
| Heavy Atoms | 24 |
| Complexity | 760.47644 |
Chemical Identifiers
| CAS Number | 313530-38-0 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)/C=C/2\C(=O)N(C(=S)S2)CC=C)[N+](=O)[O-] |
Product Overview
BAS 00272652 (CAS 313530-38-0), with molecular formula C15H14N2O5S2 and molecular weight 366.03 g/mol. IUPAC: (5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00272652
Property Insights of BAS 00272652
The XLogP value of 3.0863 indicates that BAS 00272652 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00272652. Following Lipinski's Rule of Five, BAS 00272652 has 1 hydrogen bond donor(s) and 7 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 00272652?
The CAS number of BAS 00272652 is 313530-38-0.
What is the molecular formula of BAS 00272652?
The molecular formula of BAS 00272652 is C15H14N2O5S2.
What is the molecular weight of BAS 00272652?
The molecular weight of BAS 00272652 is 366.03 g/mol.
Where can I buy BAS 00272652?
You can request a quote for BAS 00272652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00272652?
Yes, KEHONG BIO provides custom synthesis services for BAS 00272652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.