(4-Methylcyclohexyl) 2-cyanobutanoate
TL;DR: (4-Methylcyclohexyl) 2-cyanobutanoate (CAS 68488-07-3) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylcyclohexyl) 2-cyanobutanoate
Also Known As: 4-methylcyclohexyl 2-cyanobutanoate, (4-methylcyclohexyl) 2-cyanobutanoate, Magnesium 2,4-pentanedionate dihydrate, typically 98+% (metals basis)
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 68488-07-3 |
|---|---|
| SMILES | CCC(C#N)C(=O)OC1CCC(CC1)C |
| InChIKey | AKSCEMJPKUNSRJ-UHFFFAOYSA-N |
Product Overview
(4-Methylcyclohexyl) 2-cyanobutanoate (CAS 68488-07-3), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: (4-methylcyclohexyl) 2-cyanobutanoate.
Chemical Property Profile of (4-Methylcyclohexyl) 2-cyanobutanoate
Property Insights of (4-Methylcyclohexyl) 2-cyanobutanoate
The XLogP value of 3.0 indicates that (4-Methylcyclohexyl) 2-cyanobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, (4-Methylcyclohexyl) 2-cyanobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methylcyclohexyl) 2-cyanobutanoate 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 (4-Methylcyclohexyl) 2-cyanobutanoate?
The CAS number of (4-Methylcyclohexyl) 2-cyanobutanoate is 68488-07-3.
What is the molecular formula of (4-Methylcyclohexyl) 2-cyanobutanoate?
The molecular formula of (4-Methylcyclohexyl) 2-cyanobutanoate is C12H19NO2.
What is the molecular weight of (4-Methylcyclohexyl) 2-cyanobutanoate?
The molecular weight of (4-Methylcyclohexyl) 2-cyanobutanoate is 209.14 g/mol.
Where can I buy (4-Methylcyclohexyl) 2-cyanobutanoate?
You can request a quote for (4-Methylcyclohexyl) 2-cyanobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methylcyclohexyl) 2-cyanobutanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methylcyclohexyl) 2-cyanobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.