![1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone structure](/static/products/3392/339276-51-6.webp)
1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone
TL;DR: 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone (CAS 339276-51-6) is a chemical compound with molecular formula C15H13NO5S and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(benzenesulfonylmethyl)-4-nitrophenyl]ethanone
Also Known As: 1-{4-nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone, 1-{3-[(benzenesulfonyl)methyl]-4-nitrophenyl}ethan-1-one, 1-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1-ethanone, 1-[3-(benzenesulfonylmethyl)-4-nitrophenyl]ethanone, 1-[3-(benzenesulfonylmethyl)-4-nitro-phenyl]ethanone
| Molecular Formula | C15H13NO5S |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 2.7713 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.05145 |
| Heavy Atoms | 22 |
| Complexity | 828.26624 |
Chemical Identifiers
| CAS Number | 339276-51-6 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone (CAS 339276-51-6), with molecular formula C15H13NO5S and molecular weight 319.05 g/mol. IUPAC: 1-[3-(benzenesulfonylmethyl)-4-nitrophenyl]ethanone.
Chemical Property Profile of 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone
Property Insights of 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone
The XLogP value of 2.7713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone. The TPSA of 94.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone. Following Lipinski's Rule of Five, 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone has 0 hydrogen bond donor(s) and 5 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-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone?
The CAS number of 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone is 339276-51-6.
What is the molecular formula of 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone?
The molecular formula of 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone is C15H13NO5S.
What is the molecular weight of 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone?
The molecular weight of 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone is 319.05 g/mol.
Where can I buy 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone?
You can request a quote for 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-Nitro-3-[(phenylsulfonyl)methyl]phenyl}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.