![2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- structure](/static/products/5727/57274-40-5.webp)
2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl-
TL;DR: 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- (CAS 57274-40-5) is a chemical compound with molecular formula C11H15NS5 and molecular weight 320.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5,7-trimethyl-2,4,6,8,9-pentathiatricyclo[3.3.1.13,7]decan-1-yl)propanenitrile
Also Known As: 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl-, 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-propiononitrile
| Molecular Formula | C11H15NS5 |
|---|---|
| Molecular Weight | 320.98 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.9808 |
| Heavy Atoms | 17 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 57274-40-5 |
|---|---|
| SMILES | CC12CC3(SC(S1)(SC(S2)(S3)CCC#N)C)C |
| InChIKey | BTWBUPZMSQPFSY-UHFFFAOYSA-N |
Product Overview
2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- (CAS 57274-40-5), with molecular formula C11H15NS5 and molecular weight 320.98 g/mol. IUPAC: 3-(3,5,7-trimethyl-2,4,6,8,9-pentathiatricyclo[3.3.1.13,7]decan-1-yl)propanenitrile.
Chemical Property Profile of 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl-
Property Insights of 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl-
The XLogP value of 4.4 indicates that 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- has 0 hydrogen bond donor(s) and 6 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 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl-?
The CAS number of 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- is 57274-40-5.
What is the molecular formula of 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl-?
The molecular formula of 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- is C11H15NS5.
What is the molecular weight of 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl-?
The molecular weight of 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- is 320.98 g/mol.
Where can I buy 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl-?
You can request a quote for 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.