1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene
TL;DR: 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene (CAS 3729-41-7) 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-3-prop-2-enylsulfonylbenzene
Also Known As: 3-Nitrophenylallyl sulfone, starbld0012128, 1-NITRO-3-(PROP-2-ENE-1-SULFONYL)BENZENE, 1-nitro-3-prop-2-enylsulfonylbenzene, 1-(allylsulfonyl)-3-nitrobenzene
| 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 | 492.58875 |
Chemical Identifiers
| CAS Number | 3729-41-7 |
|---|---|
| SMILES | C=CCS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-] |
Product Overview
1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene (CAS 3729-41-7), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 1-nitro-3-prop-2-enylsulfonylbenzene.
Chemical Property Profile of 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene
Property Insights of 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene
The XLogP value of 1.5545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene. Following Lipinski's Rule of Five, 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene 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 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene?
The CAS number of 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene is 3729-41-7.
What is the molecular formula of 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene?
The molecular formula of 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene is C9H9NO4S.
What is the molecular weight of 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene?
The molecular weight of 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene is 227.03 g/mol.
Where can I buy 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene?
You can request a quote for 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-3-(prop-2-ene-1-sulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.