![4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate structure](/static/products/6922/692272-83-6.webp)
4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate
TL;DR: 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate (CAS 692272-83-6) is a chemical compound with molecular formula C17H12FNO4S and molecular weight 345.05 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 4-fluorobenzoate
Also Known As: 4-(4-nitrophenyl)sulfanylbuta-2,3-dienyl 4-fluorobenzoate, 4-((4-nitrophenyl)thio)buta-2,3-dien-1-yl 4-fluorobenzoate, 4-[(4-nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate
| Molecular Formula | C17H12FNO4S |
|---|---|
| Molecular Weight | 345.05 g/mol |
| LogP | 4.3518 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.04712 |
| Heavy Atoms | 24 |
| Complexity | 781.2428 |
Chemical Identifiers
| CAS Number | 692272-83-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC=C=CSC2=CC=C(C=C2)[N+](=O)[O-])F |
Product Overview
4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate (CAS 692272-83-6), with molecular formula C17H12FNO4S and molecular weight 345.05 g/mol. IUPAC: 4-(4-nitrophenyl)sulfanylbuta-2,3-dienyl 4-fluorobenzoate.
Chemical Property Profile of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate
Property Insights of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate
The XLogP value of 4.3518 indicates that 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate. Following Lipinski's Rule of Five, 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate has 0 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 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate?
The CAS number of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate is 692272-83-6.
What is the molecular formula of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate?
The molecular formula of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate is C17H12FNO4S.
What is the molecular weight of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate?
The molecular weight of 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate is 345.05 g/mol.
Where can I buy 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate?
You can request a quote for 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate 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)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Nitrophenyl)sulfanyl]buta-2,3-dien-1-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.