2-Benzyl-2-methyl-1,3-oxathiolane
TL;DR: 2-Benzyl-2-methyl-1,3-oxathiolane (CAS 17642-77-2) is a chemical compound with molecular formula C11H14OS and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-2-methyl-1,3-oxathiolane
Also Known As: 2-Benzyl-2-methyl-1,3-oxathiolane, 2-Methyl-2-benzyl-1,3-oxathiolane, J1.644.000K
| Molecular Formula | C11H14OS |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.07654 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 17642-77-2 |
|---|---|
| SMILES | CC1(OCCS1)CC2=CC=CC=C2 |
| InChIKey | YRLDXHUBTJIVFO-UHFFFAOYSA-N |
Product Overview
2-Benzyl-2-methyl-1,3-oxathiolane (CAS 17642-77-2), with molecular formula C11H14OS and molecular weight 194.08 g/mol. IUPAC: 2-benzyl-2-methyl-1,3-oxathiolane.
Chemical Property Profile of 2-Benzyl-2-methyl-1,3-oxathiolane
Property Insights of 2-Benzyl-2-methyl-1,3-oxathiolane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-2-methyl-1,3-oxathiolane. With a topological polar surface area (TPSA) of 34.5 Ų, 2-Benzyl-2-methyl-1,3-oxathiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-2-methyl-1,3-oxathiolane 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 2-Benzyl-2-methyl-1,3-oxathiolane?
The CAS number of 2-Benzyl-2-methyl-1,3-oxathiolane is 17642-77-2.
What is the molecular formula of 2-Benzyl-2-methyl-1,3-oxathiolane?
The molecular formula of 2-Benzyl-2-methyl-1,3-oxathiolane is C11H14OS.
What is the molecular weight of 2-Benzyl-2-methyl-1,3-oxathiolane?
The molecular weight of 2-Benzyl-2-methyl-1,3-oxathiolane is 194.08 g/mol.
Where can I buy 2-Benzyl-2-methyl-1,3-oxathiolane?
You can request a quote for 2-Benzyl-2-methyl-1,3-oxathiolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-2-methyl-1,3-oxathiolane?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-2-methyl-1,3-oxathiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.