![1-[Phenylsulfonyl]-1-nitropropane structure](/static/products/2127/21272-84-4.webp)
1-[Phenylsulfonyl]-1-nitropropane
TL;DR: 1-[Phenylsulfonyl]-1-nitropropane (CAS 21272-84-4) is a chemical compound with molecular formula C9H11NO4S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitropropylsulfonylbenzene
Also Known As: 1-nitropropylsulfonylbenzene, 1-[Phenylsulfonyl]-1-nitropropane, ((1-nitropropyl)sulfonyl)benzene, [(1-Nitropropyl)sulfonyl]benzene, [(1-nitropropane)sulfonyl]benzene
| Molecular Formula | C9H11NO4S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.04088 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 21272-84-4 |
|---|---|
| SMILES | CCC([N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | XVFBDLIRPLCVCL-UHFFFAOYSA-N |
Product Overview
1-[Phenylsulfonyl]-1-nitropropane (CAS 21272-84-4), with molecular formula C9H11NO4S and molecular weight 229.04 g/mol. IUPAC: 1-nitropropylsulfonylbenzene.
Chemical Property Profile of 1-[Phenylsulfonyl]-1-nitropropane
Property Insights of 1-[Phenylsulfonyl]-1-nitropropane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[Phenylsulfonyl]-1-nitropropane. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[Phenylsulfonyl]-1-nitropropane. Following Lipinski's Rule of Five, 1-[Phenylsulfonyl]-1-nitropropane 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-[Phenylsulfonyl]-1-nitropropane?
The CAS number of 1-[Phenylsulfonyl]-1-nitropropane is 21272-84-4.
What is the molecular formula of 1-[Phenylsulfonyl]-1-nitropropane?
The molecular formula of 1-[Phenylsulfonyl]-1-nitropropane is C9H11NO4S.
What is the molecular weight of 1-[Phenylsulfonyl]-1-nitropropane?
The molecular weight of 1-[Phenylsulfonyl]-1-nitropropane is 229.04 g/mol.
Where can I buy 1-[Phenylsulfonyl]-1-nitropropane?
You can request a quote for 1-[Phenylsulfonyl]-1-nitropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[Phenylsulfonyl]-1-nitropropane?
Yes, KEHONG BIO provides custom synthesis services for 1-[Phenylsulfonyl]-1-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.