2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile
TL;DR: 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile (CAS 3974-79-6) is a chemical compound with molecular formula C12H17N3 and molecular weight 203.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,4-tetramethylpentane-1,2,4-tricarbonitrile
Also Known As: 2,3,5-trimethyl-2,3,5-tricyanohexane, 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile, 2,2,3,5,5-pentamethyl-3-cyanoadiponitrile, J1.427.539H, 1,1,2,4-tetramethylpentane-1,2,4-tricarbonitrile
| Molecular Formula | C12H17N3 |
|---|---|
| Molecular Weight | 203.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.14224 |
| Heavy Atoms | 15 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 3974-79-6 |
|---|---|
| SMILES | CC(C)(CC(C)(C#N)C(C)(C)C#N)C#N |
| InChIKey | BRMJENKXKSRLSS-UHFFFAOYSA-N |
Product Overview
2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile (CAS 3974-79-6), with molecular formula C12H17N3 and molecular weight 203.14 g/mol. IUPAC: 1,1,2,4-tetramethylpentane-1,2,4-tricarbonitrile.
Chemical Property Profile of 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile
Property Insights of 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile. Following Lipinski's Rule of Five, 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile 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 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile?
The CAS number of 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile is 3974-79-6.
What is the molecular formula of 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile?
The molecular formula of 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile is C12H17N3.
What is the molecular weight of 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile?
The molecular weight of 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile is 203.14 g/mol.
Where can I buy 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile?
You can request a quote for 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5-Trimethyl-2,3,5-hexanetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.