3-Benzyl-1,2-oxathiolane 2,2-dioxide
TL;DR: 3-Benzyl-1,2-oxathiolane 2,2-dioxide (CAS 76567-36-7) is a chemical compound with molecular formula C10H12O3S and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyloxathiolane 2,2-dioxide
Also Known As: 3-benzyl-1,2-oxathiolane 2,2-dioxide, 3-benzyloxathiolane 2,2-dioxide, 3-benzyl-[1,2]oxathiolane 2,2-dioxide, 3-Benzyl-12-oxathiolane 22-dioxide, 3-benzyl-1,2-oxathiolane-2,2-dione
| Molecular Formula | C10H12O3S |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.05072 |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 76567-36-7 |
|---|---|
| SMILES | C1COS(=O)(=O)C1CC2=CC=CC=C2 |
| InChIKey | YMDYPJRCONIRKH-UHFFFAOYSA-N |
Product Overview
3-Benzyl-1,2-oxathiolane 2,2-dioxide (CAS 76567-36-7), with molecular formula C10H12O3S and molecular weight 212.05 g/mol. IUPAC: 3-benzyloxathiolane 2,2-dioxide.
Chemical Property Profile of 3-Benzyl-1,2-oxathiolane 2,2-dioxide
Property Insights of 3-Benzyl-1,2-oxathiolane 2,2-dioxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-1,2-oxathiolane 2,2-dioxide. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Benzyl-1,2-oxathiolane 2,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-1,2-oxathiolane 2,2-dioxide has 0 hydrogen bond donor(s) and 3 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 3-Benzyl-1,2-oxathiolane 2,2-dioxide?
The CAS number of 3-Benzyl-1,2-oxathiolane 2,2-dioxide is 76567-36-7.
What is the molecular formula of 3-Benzyl-1,2-oxathiolane 2,2-dioxide?
The molecular formula of 3-Benzyl-1,2-oxathiolane 2,2-dioxide is C10H12O3S.
What is the molecular weight of 3-Benzyl-1,2-oxathiolane 2,2-dioxide?
The molecular weight of 3-Benzyl-1,2-oxathiolane 2,2-dioxide is 212.05 g/mol.
Where can I buy 3-Benzyl-1,2-oxathiolane 2,2-dioxide?
You can request a quote for 3-Benzyl-1,2-oxathiolane 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-1,2-oxathiolane 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1,2-oxathiolane 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.