Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester
TL;DR: Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester (CAS 72983-70-1) is a chemical compound with molecular formula C27H42O2 and molecular weight 398.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propylcyclohexyl) 4-(4-pentylcyclohexyl)benzoate
Also Known As: trans-4-propylcyclohexyltrans-p- benzoate, J2.098.127J, trans-4-Propylcyclohexyl trans-p-(4-pentylcyclohexyl)benzoate, (4-propylcyclohexyl) 4-(4-pentylcyclohexyl)benzoate, 4-PROPYLCYCLOHEXYL 4-(4-PENTYLCYCLOHEXYL)BENZOATE
| Molecular Formula | C27H42O2 |
|---|---|
| Molecular Weight | 398.32 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.31848 |
| Heavy Atoms | 29 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 72983-70-1 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCC |
| InChIKey | PEXDPLSTNBSZFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester (CAS 72983-70-1), with molecular formula C27H42O2 and molecular weight 398.32 g/mol. IUPAC: (4-propylcyclohexyl) 4-(4-pentylcyclohexyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester
Property Insights of Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester
The XLogP value of 9.9 indicates that Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl 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, Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl 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 Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester?
The CAS number of Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester is 72983-70-1.
What is the molecular formula of Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester?
The molecular formula of Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester is C27H42O2.
What is the molecular weight of Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester?
The molecular weight of Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester is 398.32 g/mol.
Where can I buy Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester?
You can request a quote for Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.