![2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl- structure](/static/products/791/791727-67-8.png)
2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl-
TL;DR: 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl- (CAS 791727-67-8) is a chemical compound with molecular formula C9H15NS and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-thia-7-azatricyclo[4.4.0.03,8]decane
Also Known As: 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl-, 2-Thia-7-azatricyclo[4.4.0.03,8]decane, 7-methyl- (9CI)
| Molecular Formula | C9H15NS |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.09251 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 791727-67-8 |
|---|---|
| SMILES | CN1C2CCC3C1CCC2S3 |
| InChIKey | MATCAKXRIXTCRE-UHFFFAOYSA-N |
Product Overview
2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl- (CAS 791727-67-8), with molecular formula C9H15NS and molecular weight 169.09 g/mol. IUPAC: 7-methyl-2-thia-7-azatricyclo[4.4.0.03,8]decane.
Chemical Property Profile of 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl-
Property Insights of 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl-. With a topological polar surface area (TPSA) of 28.5 Ų, 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl- has 0 hydrogen bond donor(s) and 2 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 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl-?
The CAS number of 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl- is 791727-67-8.
What is the molecular formula of 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl-?
The molecular formula of 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl- is C9H15NS.
What is the molecular weight of 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl-?
The molecular weight of 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl- is 169.09 g/mol.
Where can I buy 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl-?
You can request a quote for 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thia-7-azatricyclo[4.4.0.0(3,8)]decane, 7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.