Benzene, ((phenylmethyl)sulfonyl)-,
TL;DR: Benzene, ((phenylmethyl)sulfonyl)-, (CAS 3112-88-7) is a chemical compound with molecular formula C13H12O2S and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonylmethylbenzene
Also Known As: Benzyl phenyl sulfone, (benzylsulfonyl)benzene, Phenyl benzyl sulfone, Sulfone, benzyl phenyl, benzenesulfonylmethylbenzene
| Molecular Formula | C13H12O2S |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0558 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 3112-88-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | FABCMLOTUSCWOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, ((phenylmethyl)sulfonyl)-, (CAS 3112-88-7), with molecular formula C13H12O2S and molecular weight 232.06 g/mol. IUPAC: benzenesulfonylmethylbenzene.
Chemical Property Profile of Benzene, ((phenylmethyl)sulfonyl)-,
Property Insights of Benzene, ((phenylmethyl)sulfonyl)-,
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, ((phenylmethyl)sulfonyl)-,. With a topological polar surface area (TPSA) of 42.5 Ų, Benzene, ((phenylmethyl)sulfonyl)-, exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, ((phenylmethyl)sulfonyl)-, has 0 hydrogen bond donor(s) and 2 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 Benzene, ((phenylmethyl)sulfonyl)-,?
The CAS number of Benzene, ((phenylmethyl)sulfonyl)-, is 3112-88-7.
What is the molecular formula of Benzene, ((phenylmethyl)sulfonyl)-,?
The molecular formula of Benzene, ((phenylmethyl)sulfonyl)-, is C13H12O2S.
What is the molecular weight of Benzene, ((phenylmethyl)sulfonyl)-,?
The molecular weight of Benzene, ((phenylmethyl)sulfonyl)-, is 232.06 g/mol.
Where can I buy Benzene, ((phenylmethyl)sulfonyl)-,?
You can request a quote for Benzene, ((phenylmethyl)sulfonyl)-, directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, ((phenylmethyl)sulfonyl)-,?
Yes, KEHONG BIO provides custom synthesis services for Benzene, ((phenylmethyl)sulfonyl)-, and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.