(1-Nitroethanesulfonyl)benzene
TL;DR: (1-Nitroethanesulfonyl)benzene (CAS 74737-90-9) is a chemical compound with molecular formula C8H9NO4S and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroethylsulfonylbenzene
Also Known As: (1-Nitroethanesulfonyl)benzene, 1-nitroethylsulfonylbenzene, Phenyl(1-nitroethyl) sulfone, J1.349.434G, RefChem:204648
| Molecular Formula | C8H9NO4S |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.02522 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 74737-90-9 |
|---|---|
| SMILES | CC([N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | ARYWOYLHKLLIHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Nitroethanesulfonyl)benzene (CAS 74737-90-9), with molecular formula C8H9NO4S and molecular weight 215.03 g/mol. IUPAC: 1-nitroethylsulfonylbenzene.
Chemical Property Profile of (1-Nitroethanesulfonyl)benzene
Property Insights of (1-Nitroethanesulfonyl)benzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Nitroethanesulfonyl)benzene. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Nitroethanesulfonyl)benzene. Following Lipinski's Rule of Five, (1-Nitroethanesulfonyl)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-Nitroethanesulfonyl)benzene?
The CAS number of (1-Nitroethanesulfonyl)benzene is 74737-90-9.
What is the molecular formula of (1-Nitroethanesulfonyl)benzene?
The molecular formula of (1-Nitroethanesulfonyl)benzene is C8H9NO4S.
What is the molecular weight of (1-Nitroethanesulfonyl)benzene?
The molecular weight of (1-Nitroethanesulfonyl)benzene is 215.03 g/mol.
Where can I buy (1-Nitroethanesulfonyl)benzene?
You can request a quote for (1-Nitroethanesulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Nitroethanesulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Nitroethanesulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.