5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile
TL;DR: 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile (CAS 57274-49-4) is a chemical compound with molecular formula C12H14N2S6 and molecular weight 377.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-cyanoethyl)-5,7-dimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decan-1-yl]propanenitrile
Also Known As: 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile, 2,4,6,8,9,10-Hexathiatricyclo[3.3.1.1(3,7)]decane-1,3-dipropanenitrile, 5,7-dimethyl-, 2,4,6,8,9,10-Hexathiatricyclo[3.3.1.13,7]decane-1,3-dipropanenitrile, 5,7-dimethyl-, 3-[3-(2-cyanoethyl)-5,7-dimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decan-1-yl]propanenitrile
| Molecular Formula | C12H14N2S6 |
|---|---|
| Molecular Weight | 377.95 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.94812 |
| Heavy Atoms | 20 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 57274-49-4 |
|---|---|
| SMILES | CC12SC3(SC(S1)(SC(S2)(S3)CCC#N)CCC#N)C |
| InChIKey | AVZWJOHTZZTUDK-UHFFFAOYSA-N |
Product Overview
5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile (CAS 57274-49-4), with molecular formula C12H14N2S6 and molecular weight 377.95 g/mol. IUPAC: 3-[3-(2-cyanoethyl)-5,7-dimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decan-1-yl]propanenitrile.
Chemical Property Profile of 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile
Property Insights of 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile
The XLogP value of 4.6 indicates that 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile has 0 hydrogen bond donor(s) and 8 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 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile?
The CAS number of 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile is 57274-49-4.
What is the molecular formula of 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile?
The molecular formula of 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile is C12H14N2S6.
What is the molecular weight of 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile?
The molecular weight of 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile is 377.95 g/mol.
Where can I buy 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile?
You can request a quote for 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethyl-2,4,6,8,9,10-hexathiaadamantane-1,3-dipropiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.