4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate
TL;DR: 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate (CAS 500002-51-7) is a chemical compound with molecular formula C25H36F2O3 and molecular weight 422.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(difluoromethoxy)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
Also Known As: BAS 00059117, 4-(difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate, [4-(difluoromethoxy)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate, 4'-Pentyl-bicyclohexyl-4-carboxylic acid 4-difluoromethoxy-phenyl ester, 4-(DIFLUOROMETHOXY)PHENYL 4'-PENTYL-[1,1'-BI(CYCLOHEXANE)]-4-CARBOXYLATE
| Molecular Formula | C25H36F2O3 |
|---|---|
| Molecular Weight | 422.26 g/mol |
| LogP | 7.3865 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.26324 |
| Heavy Atoms | 30 |
| Complexity | 630.29877 |
Chemical Identifiers
| CAS Number | 500002-51-7 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)OC(F)F |
Product Overview
4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate (CAS 500002-51-7), with molecular formula C25H36F2O3 and molecular weight 422.26 g/mol. IUPAC: [4-(difluoromethoxy)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate.
Chemical Property Profile of 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate
Property Insights of 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate
The XLogP value of 7.3865 indicates that 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate?
The CAS number of 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate is 500002-51-7.
What is the molecular formula of 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate?
The molecular formula of 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate is C25H36F2O3.
What is the molecular weight of 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate?
The molecular weight of 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate is 422.26 g/mol.
Where can I buy 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate?
You can request a quote for 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Difluoromethoxy)phenyl 4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.