苄亚砜
TL;DR: 苄亚砜 (CAS 621-08-9) is a chemical compound with molecular formula C14H14OS and molecular weight 230.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄亚砜
benzylsulfinylmethylbenzene
Also Known As: Dibenzyl sulfoxide, Benzyl sulfoxide, Dibenzylsulfoxide, Tardiol D, Dibenzyl sulphoxide
| Molecular Formula | C14H14OS |
|---|---|
| Molecular Weight | 230.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.07654 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
| Vapor Pressure | 0.00000653 [mmHg] |
Chemical Identifiers
| CAS Number | 621-08-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)CC2=CC=CC=C2 |
| InChIKey | HTMQZWFSTJVJEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄亚砜 (CAS 621-08-9), with molecular formula C14H14OS and molecular weight 230.08 g/mol. IUPAC: benzylsulfinylmethylbenzene.
Chemical Property Profile of 苄亚砜
Property Insights of 苄亚砜
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄亚砜. With a topological polar surface area (TPSA) of 36.3 Ų, 苄亚砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄亚砜 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 苄亚砜?
The CAS number of 苄亚砜 is 621-08-9.
What is the molecular formula of 苄亚砜?
The molecular formula of 苄亚砜 is C14H14OS.
What is the molecular weight of 苄亚砜?
The molecular weight of 苄亚砜 is 230.08 g/mol.
Where can I buy 苄亚砜?
You can request a quote for 苄亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄亚砜?
Yes, KEHONG BIO provides custom synthesis services for 苄亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.