2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate
TL;DR: 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate (CAS 75941-52-5) is a chemical compound with molecular formula C25H34N2O3 and molecular weight 410.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dicyano-4-pentoxyphenyl) 4-pentylcyclohexane-1-carboxylate
Also Known As: 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate, (2,3-dicyano-4-pentoxyphenyl) 4-pentylcyclohexane-1-carboxylate, 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate #, Trans-4-Pentylcyclohexanecarboxylicacid2,3-dicyano-4-(pentyloxy)phenylester, Cyclohexanecarboxylic acid, 4-pentyl-, 2,3-dicyano-4-(pentyloxy)phenyl ester
| Molecular Formula | C25H34N2O3 |
|---|---|
| Molecular Weight | 410.26 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 410.25696 |
| Heavy Atoms | 30 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 75941-52-5 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)OCCCCC)C#N)C#N |
| InChIKey | FTLQVFUGWANXKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate (CAS 75941-52-5), with molecular formula C25H34N2O3 and molecular weight 410.26 g/mol. IUPAC: (2,3-dicyano-4-pentoxyphenyl) 4-pentylcyclohexane-1-carboxylate.
Chemical Property Profile of 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate
Property Insights of 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate
The XLogP value of 7.4 indicates that 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate 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 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate. Following Lipinski's Rule of Five, 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate 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 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate?
The CAS number of 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate is 75941-52-5.
What is the molecular formula of 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate?
The molecular formula of 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate is C25H34N2O3.
What is the molecular weight of 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate?
The molecular weight of 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate is 410.26 g/mol.
Where can I buy 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate?
You can request a quote for 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dicyano-4-(pentyloxy)phenyl 4-pentylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.