![1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene structure](/static/products/6297/62970-89-2.webp)
1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene
TL;DR: 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene (CAS 62970-89-2) is a chemical compound with molecular formula C21H19NO6S2 and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(benzylsulfonyl)methyl]-4-nitrobenzene
Also Known As: 1-[bis(benzylsulfonyl)methyl]-4-nitrobenzene, 1,1'-{[(4-Nitrophenyl)methylene]bis(sulfonylmethylene)}dibenzene
| Molecular Formula | C21H19NO6S2 |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.06537 |
| Heavy Atoms | 30 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 62970-89-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3 |
| InChIKey | NIYNKYLYIQJQTM-UHFFFAOYSA-N |
Product Overview
1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene (CAS 62970-89-2), with molecular formula C21H19NO6S2 and molecular weight 445.07 g/mol. IUPAC: 1-[bis(benzylsulfonyl)methyl]-4-nitrobenzene.
Chemical Property Profile of 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene
Property Insights of 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene
The XLogP value of 3.4 indicates that 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene. Following Lipinski's Rule of Five, 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene has 0 hydrogen bond donor(s) and 6 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-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene?
The CAS number of 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene is 62970-89-2.
What is the molecular formula of 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene?
The molecular formula of 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene is C21H19NO6S2.
What is the molecular weight of 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene?
The molecular weight of 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene is 445.07 g/mol.
Where can I buy 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene?
You can request a quote for 1-[Bis(benzylsulfonyl)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-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[Bis(benzylsulfonyl)methyl]-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.