4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate
TL;DR: 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate (CAS 692282-91-0) is a chemical compound with molecular formula C15H11NO5S and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate
Also Known As: 4-(4-nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate, 4-((4-nitrophenyl)thio)buta-2,3-dien-1-yl furan-2-carboxylate, 4-[(4-nitrophenyl)sulfanyl]buta-2,3-dien-1-yl furan-2-carboxylate
| Molecular Formula | C15H11NO5S |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 3.8057 |
| Topological Polar Surface Area | 82.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.0358 |
| Heavy Atoms | 22 |
| Complexity | 700.0439 |
Chemical Identifiers
| CAS Number | 692282-91-0 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)OCC=C=CSC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate (CAS 692282-91-0), with molecular formula C15H11NO5S and molecular weight 317.04 g/mol. IUPAC: 4-(4-nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate.
Chemical Property Profile of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate
Property Insights of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate
The XLogP value of 3.8057 indicates that 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate. Following Lipinski's Rule of Five, 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate has 0 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 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate?
The CAS number of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate is 692282-91-0.
What is the molecular formula of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate?
The molecular formula of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate is C15H11NO5S.
What is the molecular weight of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate?
The molecular weight of 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate is 317.04 g/mol.
Where can I buy 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate?
You can request a quote for 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitrophenyl)sulfanylbuta-2,3-dienyl furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.