二苯基砜
TL;DR: 二苯基砜 (CAS 127-63-9) is a chemical compound with molecular formula C12H10O2S and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯基砜
benzenesulfonylbenzene
Also Known As: Diphenyl sulfone, Sulfonyldibenzene, Phenyl sulfone, Sulfobenzide, DIPHENYLSULFONE
| Molecular Formula | C12H10O2S |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.04015 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
| Vapor Pressure | 0.0000153 [mmHg] |
Chemical Identifiers
| CAS Number | 127-63-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | KZTYYGOKRVBIMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯基砜 (CAS 127-63-9), with molecular formula C12H10O2S and molecular weight 218.04 g/mol. IUPAC: benzenesulfonylbenzene.
Chemical Property Profile of 二苯基砜
Property Insights of 二苯基砜
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二苯基砜. With a topological polar surface area (TPSA) of 42.5 Ų, 二苯基砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯基砜 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 二苯基砜?
The CAS number of 二苯基砜 is 127-63-9.
What is the molecular formula of 二苯基砜?
The molecular formula of 二苯基砜 is C12H10O2S.
What is the molecular weight of 二苯基砜?
The molecular weight of 二苯基砜 is 218.04 g/mol.
Where can I buy 二苯基砜?
You can request a quote for 二苯基砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯基砜?
Yes, KEHONG BIO provides custom synthesis services for 二苯基砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.