1-Benzylsulfonyl-2,4-dinitro-benzene
TL;DR: 1-Benzylsulfonyl-2,4-dinitro-benzene (CAS 98833-92-2) is a chemical compound with molecular formula C13H10N2O6S and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfonyl-2,4-dinitrobenzene
Also Known As: 1-benzylsulfonyl-2,4-dinitro-benzene, NCIStruc1_001465, NCIStruc2_001663, 1-benzylsulfonyl-2,4-dinitrobenzene, benzyl 2,4-dinitrophenyl sulfone
| Molecular Formula | C13H10N2O6S |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.02597 |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 98833-92-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HZFBXPDDUCZHGX-UHFFFAOYSA-N |
Product Overview
1-Benzylsulfonyl-2,4-dinitro-benzene (CAS 98833-92-2), with molecular formula C13H10N2O6S and molecular weight 322.03 g/mol. IUPAC: 1-benzylsulfonyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-Benzylsulfonyl-2,4-dinitro-benzene
Property Insights of 1-Benzylsulfonyl-2,4-dinitro-benzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylsulfonyl-2,4-dinitro-benzene. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzylsulfonyl-2,4-dinitro-benzene. Following Lipinski's Rule of Five, 1-Benzylsulfonyl-2,4-dinitro-benzene 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-Benzylsulfonyl-2,4-dinitro-benzene?
The CAS number of 1-Benzylsulfonyl-2,4-dinitro-benzene is 98833-92-2.
What is the molecular formula of 1-Benzylsulfonyl-2,4-dinitro-benzene?
The molecular formula of 1-Benzylsulfonyl-2,4-dinitro-benzene is C13H10N2O6S.
What is the molecular weight of 1-Benzylsulfonyl-2,4-dinitro-benzene?
The molecular weight of 1-Benzylsulfonyl-2,4-dinitro-benzene is 322.03 g/mol.
Where can I buy 1-Benzylsulfonyl-2,4-dinitro-benzene?
You can request a quote for 1-Benzylsulfonyl-2,4-dinitro-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylsulfonyl-2,4-dinitro-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylsulfonyl-2,4-dinitro-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.