9-Thiabicyclo(3.3.1)nonane-2,6-dione
TL;DR: 9-Thiabicyclo(3.3.1)nonane-2,6-dione (CAS 37918-35-7) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-thiabicyclo[3.3.1]nonane-2,6-dione
Also Known As: 9-Thiabicyclo[3.3.1]nonane-2,6-dione, 9-Thiabicyclo(3.3.1)nonane-2,6-dione, NCI60_034999, 4-(2-Methyl-pyrrolidino)-2,2-diphenyl-buttersaeure-amid, RefChem:313308
| Molecular Formula | C8H10O2S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 37918-35-7 |
|---|---|
| SMILES | C1CC(=O)C2CCC(=O)C1S2 |
| InChIKey | ZFSYGTMUGOONON-UHFFFAOYSA-N |
Product Overview
9-Thiabicyclo(3.3.1)nonane-2,6-dione (CAS 37918-35-7), with molecular formula C8H10O2S and molecular weight 170.04 g/mol. IUPAC: 9-thiabicyclo[3.3.1]nonane-2,6-dione.
Chemical Property Profile of 9-Thiabicyclo(3.3.1)nonane-2,6-dione
Property Insights of 9-Thiabicyclo(3.3.1)nonane-2,6-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Thiabicyclo(3.3.1)nonane-2,6-dione. With a topological polar surface area (TPSA) of 59.4 Ų, 9-Thiabicyclo(3.3.1)nonane-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Thiabicyclo(3.3.1)nonane-2,6-dione 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 9-Thiabicyclo(3.3.1)nonane-2,6-dione?
The CAS number of 9-Thiabicyclo(3.3.1)nonane-2,6-dione is 37918-35-7.
What is the molecular formula of 9-Thiabicyclo(3.3.1)nonane-2,6-dione?
The molecular formula of 9-Thiabicyclo(3.3.1)nonane-2,6-dione is C8H10O2S.
What is the molecular weight of 9-Thiabicyclo(3.3.1)nonane-2,6-dione?
The molecular weight of 9-Thiabicyclo(3.3.1)nonane-2,6-dione is 170.04 g/mol.
Where can I buy 9-Thiabicyclo(3.3.1)nonane-2,6-dione?
You can request a quote for 9-Thiabicyclo(3.3.1)nonane-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Thiabicyclo(3.3.1)nonane-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-Thiabicyclo(3.3.1)nonane-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.