3,3-Dimethyl-1,4-oxathian-2-one
TL;DR: 3,3-Dimethyl-1,4-oxathian-2-one (CAS 100465-45-0) is a chemical compound with molecular formula C6H10O2S and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1,4-oxathian-2-one
Also Known As: 3,3-dimethyl-1,4-oxathian-2-one, 3,3-Dimethyl-[1,4]oxathian-2-one, 1,4-oxathian-2-one, 3,3-dimethyl-, InChI=1/C6H10O2S/c1-6(2)5(7)8-3-4-9-6/h3-4H2,1-2H
| Molecular Formula | C6H10O2S |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.04015 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 100465-45-0 |
|---|---|
| SMILES | CC1(C(=O)OCCS1)C |
| InChIKey | BMOJRNIRXZGPKO-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-1,4-oxathian-2-one (CAS 100465-45-0), with molecular formula C6H10O2S and molecular weight 146.04 g/mol. IUPAC: 3,3-dimethyl-1,4-oxathian-2-one.
Chemical Property Profile of 3,3-Dimethyl-1,4-oxathian-2-one
Property Insights of 3,3-Dimethyl-1,4-oxathian-2-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1,4-oxathian-2-one. With a topological polar surface area (TPSA) of 51.6 Ų, 3,3-Dimethyl-1,4-oxathian-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1,4-oxathian-2-one 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 3,3-Dimethyl-1,4-oxathian-2-one?
The CAS number of 3,3-Dimethyl-1,4-oxathian-2-one is 100465-45-0.
What is the molecular formula of 3,3-Dimethyl-1,4-oxathian-2-one?
The molecular formula of 3,3-Dimethyl-1,4-oxathian-2-one is C6H10O2S.
What is the molecular weight of 3,3-Dimethyl-1,4-oxathian-2-one?
The molecular weight of 3,3-Dimethyl-1,4-oxathian-2-one is 146.04 g/mol.
Where can I buy 3,3-Dimethyl-1,4-oxathian-2-one?
You can request a quote for 3,3-Dimethyl-1,4-oxathian-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1,4-oxathian-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1,4-oxathian-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.