4,5-Thiepanedione, 3,3,6,6-tetramethyl-
TL;DR: 4,5-Thiepanedione, 3,3,6,6-tetramethyl- (CAS 2800-87-5) is a chemical compound with molecular formula C10H16O2S and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-tetramethylthiepane-4,5-dione
Also Known As: 3,3,6,6-tetramethylthiepane-4,5-dione, 4,5-Thiepanedione, 3,3,6,6-tetramethyl-, 4, 3,3,6,6-tetramethyl-, 3,3,6,6-Tetramethyl-4,5-thiepanedione, 1,2-Cycloheptanedione-5-thia, 3,3,7,7-tetramethyl-
| Molecular Formula | C10H16O2S |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.0871 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 2800-87-5 |
|---|---|
| SMILES | CC1(CSCC(C(=O)C1=O)(C)C)C |
| InChIKey | GFZNLWBRSSKIQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Thiepanedione, 3,3,6,6-tetramethyl- (CAS 2800-87-5), with molecular formula C10H16O2S and molecular weight 200.09 g/mol. IUPAC: 3,3,6,6-tetramethylthiepane-4,5-dione.
Chemical Property Profile of 4,5-Thiepanedione, 3,3,6,6-tetramethyl-
Property Insights of 4,5-Thiepanedione, 3,3,6,6-tetramethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Thiepanedione, 3,3,6,6-tetramethyl-. With a topological polar surface area (TPSA) of 59.4 Ų, 4,5-Thiepanedione, 3,3,6,6-tetramethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Thiepanedione, 3,3,6,6-tetramethyl- 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 4,5-Thiepanedione, 3,3,6,6-tetramethyl-?
The CAS number of 4,5-Thiepanedione, 3,3,6,6-tetramethyl- is 2800-87-5.
What is the molecular formula of 4,5-Thiepanedione, 3,3,6,6-tetramethyl-?
The molecular formula of 4,5-Thiepanedione, 3,3,6,6-tetramethyl- is C10H16O2S.
What is the molecular weight of 4,5-Thiepanedione, 3,3,6,6-tetramethyl-?
The molecular weight of 4,5-Thiepanedione, 3,3,6,6-tetramethyl- is 200.09 g/mol.
Where can I buy 4,5-Thiepanedione, 3,3,6,6-tetramethyl-?
You can request a quote for 4,5-Thiepanedione, 3,3,6,6-tetramethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Thiepanedione, 3,3,6,6-tetramethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Thiepanedione, 3,3,6,6-tetramethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.