4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate
TL;DR: 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate (CAS 75941-46-7) is a chemical compound with molecular formula C23H30N2O3 and molecular weight 382.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butoxy-2,3-dicyanophenyl) 4-butylcyclohexane-1-carboxylate
Also Known As: 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate, 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate #, Butyl cyclohexyl formic acid-2,3-dicyanyl-4-butyloxyphenol, (4-butoxy-2,3-dicyanophenyl) 4-butylcyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 4-butyl-, 4-butoxy-2,3-dicyanophenyl ester
| Molecular Formula | C23H30N2O3 |
|---|---|
| Molecular Weight | 382.23 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 382.22565 |
| Heavy Atoms | 28 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 75941-46-7 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)OCCCC)C#N)C#N |
| InChIKey | VYKAODSMVPMUAT-UHFFFAOYSA-N |
Product Overview
4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate (CAS 75941-46-7), with molecular formula C23H30N2O3 and molecular weight 382.23 g/mol. IUPAC: (4-butoxy-2,3-dicyanophenyl) 4-butylcyclohexane-1-carboxylate.
Chemical Property Profile of 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate
Property Insights of 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate
The XLogP value of 6.3 indicates that 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate. Following Lipinski's Rule of Five, 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate?
The CAS number of 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate is 75941-46-7.
What is the molecular formula of 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate?
The molecular formula of 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate is C23H30N2O3.
What is the molecular weight of 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate?
The molecular weight of 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate is 382.23 g/mol.
Where can I buy 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate?
You can request a quote for 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.