4-Nitrobenzyl trichloromethyl sulfone
TL;DR: 4-Nitrobenzyl trichloromethyl sulfone (CAS 15894-01-6) is a chemical compound with molecular formula C8H6Cl3NO4S and molecular weight 316.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(trichloromethylsulfonylmethyl)benzene
Also Known As: p-Nitrobenzyltrichloromethyl sulfone, 4-Nitrobenzyl trichloromethyl sulfone, Sulfone, p-nitrobenzyl trichloromethyl, 1-nitro-4-(trichloromethylsulfonylmethyl)benzene, 1-nitro-4-(trichloromethanesulfonylmethyl)benzene
| Molecular Formula | C8H6Cl3NO4S |
|---|---|
| Molecular Weight | 316.91 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.90833 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 15894-01-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)C(Cl)(Cl)Cl)[N+](=O)[O-] |
| InChIKey | MIHZYBSIFQUIEI-UHFFFAOYSA-N |
Product Overview
4-Nitrobenzyl trichloromethyl sulfone (CAS 15894-01-6), with molecular formula C8H6Cl3NO4S and molecular weight 316.91 g/mol. IUPAC: 1-nitro-4-(trichloromethylsulfonylmethyl)benzene.
Chemical Property Profile of 4-Nitrobenzyl trichloromethyl sulfone
Property Insights of 4-Nitrobenzyl trichloromethyl sulfone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzyl trichloromethyl sulfone. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl trichloromethyl sulfone. Following Lipinski's Rule of Five, 4-Nitrobenzyl trichloromethyl sulfone 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 4-Nitrobenzyl trichloromethyl sulfone?
The CAS number of 4-Nitrobenzyl trichloromethyl sulfone is 15894-01-6.
What is the molecular formula of 4-Nitrobenzyl trichloromethyl sulfone?
The molecular formula of 4-Nitrobenzyl trichloromethyl sulfone is C8H6Cl3NO4S.
What is the molecular weight of 4-Nitrobenzyl trichloromethyl sulfone?
The molecular weight of 4-Nitrobenzyl trichloromethyl sulfone is 316.91 g/mol.
Where can I buy 4-Nitrobenzyl trichloromethyl sulfone?
You can request a quote for 4-Nitrobenzyl trichloromethyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzyl trichloromethyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl trichloromethyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.