1,4-Oxathiepan-2-one, 3,3-dimethyl-
TL;DR: 1,4-Oxathiepan-2-one, 3,3-dimethyl- (CAS 35562-79-9) is a chemical compound with molecular formula C7H12O2S and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-1,4-oxathiepan-7-one
Also Known As: 6,6-Dimethyl-1,4-oxathiepan-7-one, 3,3-Dimethyl-1,4-oxathiepan-2-one, 1,4-Oxathiepan-2-one, 3,3-dimethyl-, 6,6-Dimethyl-1,4-oxathiepan-7-one #
| Molecular Formula | C7H12O2S |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.0558 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 35562-79-9 |
|---|---|
| SMILES | CC1(CSCCOC1=O)C |
| InChIKey | LYFNNCHZCYSELY-UHFFFAOYSA-N |
Product Overview
1,4-Oxathiepan-2-one, 3,3-dimethyl- (CAS 35562-79-9), with molecular formula C7H12O2S and molecular weight 160.06 g/mol. IUPAC: 6,6-dimethyl-1,4-oxathiepan-7-one.
Chemical Property Profile of 1,4-Oxathiepan-2-one, 3,3-dimethyl-
Property Insights of 1,4-Oxathiepan-2-one, 3,3-dimethyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Oxathiepan-2-one, 3,3-dimethyl-. With a topological polar surface area (TPSA) of 51.6 Ų, 1,4-Oxathiepan-2-one, 3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Oxathiepan-2-one, 3,3-dimethyl- 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 1,4-Oxathiepan-2-one, 3,3-dimethyl-?
The CAS number of 1,4-Oxathiepan-2-one, 3,3-dimethyl- is 35562-79-9.
What is the molecular formula of 1,4-Oxathiepan-2-one, 3,3-dimethyl-?
The molecular formula of 1,4-Oxathiepan-2-one, 3,3-dimethyl- is C7H12O2S.
What is the molecular weight of 1,4-Oxathiepan-2-one, 3,3-dimethyl-?
The molecular weight of 1,4-Oxathiepan-2-one, 3,3-dimethyl- is 160.06 g/mol.
Where can I buy 1,4-Oxathiepan-2-one, 3,3-dimethyl-?
You can request a quote for 1,4-Oxathiepan-2-one, 3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Oxathiepan-2-one, 3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Oxathiepan-2-one, 3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.