Benzene, 1-nitro-4-(2-propenylsulfonyl)-
TL;DR: Benzene, 1-nitro-4-(2-propenylsulfonyl)- (CAS 3729-43-9) is a chemical compound with molecular formula C9H9NO4S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-prop-2-enylsulfonylbenzene
Also Known As: Allyl(4-nitrophenyl) sulfone, Benzene, 1-nitro-4-(2-propenylsulfonyl)-, 1-(allylsulfonyl)-4-nitrobenzene, 1-nitro-4-prop-2-enylsulfonylbenzene, Allyl-(4-nitro-phenyl)-sulfon
| Molecular Formula | C9H9NO4S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.5545 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.02522 |
| Heavy Atoms | 15 |
| Complexity | 475.33875 |
Chemical Identifiers
| CAS Number | 3729-43-9 |
|---|---|
| SMILES | C=CCS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Benzene, 1-nitro-4-(2-propenylsulfonyl)- (CAS 3729-43-9), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 1-nitro-4-prop-2-enylsulfonylbenzene.
Chemical Property Profile of Benzene, 1-nitro-4-(2-propenylsulfonyl)-
Property Insights of Benzene, 1-nitro-4-(2-propenylsulfonyl)-
The XLogP value of 1.5545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-nitro-4-(2-propenylsulfonyl)-. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-nitro-4-(2-propenylsulfonyl)-. Following Lipinski's Rule of Five, Benzene, 1-nitro-4-(2-propenylsulfonyl)- 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 Benzene, 1-nitro-4-(2-propenylsulfonyl)-?
The CAS number of Benzene, 1-nitro-4-(2-propenylsulfonyl)- is 3729-43-9.
What is the molecular formula of Benzene, 1-nitro-4-(2-propenylsulfonyl)-?
The molecular formula of Benzene, 1-nitro-4-(2-propenylsulfonyl)- is C9H9NO4S.
What is the molecular weight of Benzene, 1-nitro-4-(2-propenylsulfonyl)-?
The molecular weight of Benzene, 1-nitro-4-(2-propenylsulfonyl)- is 227.03 g/mol.
Where can I buy Benzene, 1-nitro-4-(2-propenylsulfonyl)-?
You can request a quote for Benzene, 1-nitro-4-(2-propenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-nitro-4-(2-propenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-nitro-4-(2-propenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.