3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride
TL;DR: 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride (CAS 25035-74-9) is a chemical compound with molecular formula C16H12FNO4S and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1E,3E)-4-(3-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
Also Known As: starbld0019443, 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride, 3-[4-(3-nitrophenyl)buta-1,3-dien-1-yl]benzenesulfonyl fluoride, dl-3-[(tert-butoxycarbonyl)amino]-4-methylpentanoic acid, 3-[4-(3-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
| Molecular Formula | C16H12FNO4S |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 3.9796 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.04712 |
| Heavy Atoms | 23 |
| Complexity | 888.4582 |
Chemical Identifiers
| CAS Number | 25035-74-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C=C/C2=CC(=CC=C2)S(=O)(=O)F |
Product Overview
3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride (CAS 25035-74-9), with molecular formula C16H12FNO4S and molecular weight 333.05 g/mol. IUPAC: 3-[(1E,3E)-4-(3-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride.
Chemical Property Profile of 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride
Property Insights of 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride
The XLogP value of 3.9796 indicates that 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride has 0 hydrogen bond donor(s) and 4 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 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride?
The CAS number of 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride is 25035-74-9.
What is the molecular formula of 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride?
The molecular formula of 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride is C16H12FNO4S.
What is the molecular weight of 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride?
The molecular weight of 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride is 333.05 g/mol.
Where can I buy 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride?
You can request a quote for 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(3-Nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.