![[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester structure](/static/products/1027/102714-86-3.webp)
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester
TL;DR: [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester (CAS 102714-86-3) is a chemical compound with molecular formula C28H50O2 and molecular weight 418.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-pentylcyclohexyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
Also Known As: J2.470.640K, [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester, (4-pentylcyclohexyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate, (1s,4r)-4-Pentylcyclohexyl (1r,1's,4r,4'r)-4'-butyl[1,1'-bi(cyclohexane)]-4-carboxylate, trans-4-Pentylcyclohexyl (trans,trans)-4a(2)-butyl[1,1a(2)-bicyclohexyl]-4-carboxylate
| Molecular Formula | C28H50O2 |
|---|---|
| Molecular Weight | 418.38 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 418.38107 |
| Heavy Atoms | 30 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 102714-86-3 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCCC |
| InChIKey | OSJIAHNYWXKHFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester (CAS 102714-86-3), with molecular formula C28H50O2 and molecular weight 418.38 g/mol. IUPAC: (4-pentylcyclohexyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate.
Chemical Property Profile of [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester
Property Insights of [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester
The XLogP value of 10.8 indicates that [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester?
The CAS number of [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester is 102714-86-3.
What is the molecular formula of [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester?
The molecular formula of [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester is C28H50O2.
What is the molecular weight of [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester?
The molecular weight of [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester is 418.38 g/mol.
Where can I buy [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester?
You can request a quote for [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.