5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one
TL;DR: 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one (CAS 4485-40-9) is a chemical compound with molecular formula C10H18O2S and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-3,3,6,6-tetramethylthiepan-4-one
Also Known As: 5-hydroxy-3,3,6,6-tetramethylthiepan-4-one, 4-Thiepanone,3,6,6-tetramethyl-, 4-Thiepanone, 5-hydroxy-3,3,6,6-tetramethyl-, 5-Hydroxy-3,3,6,6-tetramethyl-4-thiepanone, 5-Hydroxy-3,3,6,6-tetramethyl-4-thiepanone #
| Molecular Formula | C10H18O2S |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.10275 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 4485-40-9 |
|---|---|
| SMILES | CC1(CSCC(C(=O)C1O)(C)C)C |
| InChIKey | CLOHRLRQWUPVRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one (CAS 4485-40-9), with molecular formula C10H18O2S and molecular weight 202.10 g/mol. IUPAC: 5-hydroxy-3,3,6,6-tetramethylthiepan-4-one.
Chemical Property Profile of 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one
Property Insights of 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one. Following Lipinski's Rule of Five, 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one has 1 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 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one?
The CAS number of 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one is 4485-40-9.
What is the molecular formula of 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one?
The molecular formula of 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one is C10H18O2S.
What is the molecular weight of 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one?
The molecular weight of 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one is 202.10 g/mol.
Where can I buy 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one?
You can request a quote for 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.