![1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene structure](/static/products/6968/69688-53-5.webp)
1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene
TL;DR: 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene (CAS 69688-53-5) is a chemical compound with molecular formula C8H8ClNO4S and molecular weight 248.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethylsulfonylmethyl)-4-nitrobenzene
Also Known As: chloromethyl 4-nitrobenzyl sulfone, 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene, 1-(chloromethanesulfonylmethyl)-4-nitrobenzene, 1-[(Chloromethanesulfonyl)methyl]-4-nitrobenzene, 1-(((Chloromethyl)sulfonyl)methyl)-4-nitrobenzene
| Molecular Formula | C8H8ClNO4S |
|---|---|
| Molecular Weight | 248.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.98625 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 69688-53-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)CCl)[N+](=O)[O-] |
| InChIKey | YURMIKHRCWMRMR-UHFFFAOYSA-N |
Product Overview
1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene (CAS 69688-53-5), with molecular formula C8H8ClNO4S and molecular weight 248.99 g/mol. IUPAC: 1-(chloromethylsulfonylmethyl)-4-nitrobenzene.
Chemical Property Profile of 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene
Property Insights of 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene. Following Lipinski's Rule of Five, 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene 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-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene?
The CAS number of 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene is 69688-53-5.
What is the molecular formula of 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene?
The molecular formula of 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene is C8H8ClNO4S.
What is the molecular weight of 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene?
The molecular weight of 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene is 248.99 g/mol.
Where can I buy 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene?
You can request a quote for 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[[(Chloromethyl)sulfonyl]methyl]-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.