3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile
TL;DR: 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile (CAS 57274-37-0) is a chemical compound with molecular formula C10H13NS6 and molecular weight 338.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decan-1-yl)propanenitrile
Also Known As: 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile, 2,4,6,8,9,10-Hexathiatricyclo[3.3.1.1(3,7)]decane-1-propanenitrile, 3,5,7-trimethyl-, 2,4,6,8,9,10-Hexathiatricyclo[3.3.1.13,7]decane-1-propanenitrile, 3,5,7-trimethyl-, 3-{3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decan-1-yl}propanenitrile
| Molecular Formula | C10H13NS6 |
|---|---|
| Molecular Weight | 338.94 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.93723 |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 57274-37-0 |
|---|---|
| SMILES | CC12SC3(SC(S1)(SC(S2)(S3)CCC#N)C)C |
| InChIKey | WEDALTFZGUABPV-UHFFFAOYSA-N |
Product Overview
3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile (CAS 57274-37-0), with molecular formula C10H13NS6 and molecular weight 338.94 g/mol. IUPAC: 3-(3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decan-1-yl)propanenitrile.
Chemical Property Profile of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile
Property Insights of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile
The XLogP value of 4.9 indicates that 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile has 0 hydrogen bond donor(s) and 7 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 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile?
The CAS number of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile is 57274-37-0.
What is the molecular formula of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile?
The molecular formula of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile is C10H13NS6.
What is the molecular weight of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile?
The molecular weight of 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile is 338.94 g/mol.
Where can I buy 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile?
You can request a quote for 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.