亚硫酸二苄酯
TL;DR: 亚硫酸二苄酯 (CAS 35506-85-5) is a chemical compound with molecular formula C14H14O3S and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚硫酸二苄酯
dibenzyl sulfite
Also Known As: dibenzyl sulfite, Benzyl sulfite, Dibenzylsulfit, Sulfurous acid, dibenzyl ester, Sulfurousacidbis ester
| Molecular Formula | C14H14O3S |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.06638 |
| Heavy Atoms | 18 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 35506-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COS(=O)OCC2=CC=CC=C2 |
| InChIKey | LLVIFIUGSRBJJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚硫酸二苄酯 (CAS 35506-85-5), with molecular formula C14H14O3S and molecular weight 262.07 g/mol. IUPAC: dibenzyl sulfite.
Chemical Property Profile of 亚硫酸二苄酯
Property Insights of 亚硫酸二苄酯
The XLogP value of 3.2 indicates that 亚硫酸二苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, 亚硫酸二苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚硫酸二苄酯 has 0 hydrogen bond donor(s) and 4 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 亚硫酸二苄酯?
The CAS number of 亚硫酸二苄酯 is 35506-85-5.
What is the molecular formula of 亚硫酸二苄酯?
The molecular formula of 亚硫酸二苄酯 is C14H14O3S.
What is the molecular weight of 亚硫酸二苄酯?
The molecular weight of 亚硫酸二苄酯 is 262.07 g/mol.
Where can I buy 亚硫酸二苄酯?
You can request a quote for 亚硫酸二苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚硫酸二苄酯?
Yes, KEHONG BIO provides custom synthesis services for 亚硫酸二苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.