Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans-
TL;DR: Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans- (CAS 81929-45-5) is a chemical compound with molecular formula C30H42O2 and molecular weight 434.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hexylphenyl) 4-(4-pentylcyclohexyl)benzoate
Also Known As: BAS 00395988, (4-hexylphenyl) 4-(4-pentylcyclohexyl)benzoate, 4-Hexylphenyl 4-[(1s,4r)-4-pentylcyclohexyl]benzoate, 4-(4-Pentyl-cyclohexyl)-benzoic acid 4-hexyl-phenyl ester, Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans-
| Molecular Formula | C30H42O2 |
|---|---|
| Molecular Weight | 434.32 g/mol |
| LogP | 8.8827 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 434.31848 |
| Heavy Atoms | 32 |
| Complexity | 782.58624 |
Chemical Identifiers
| CAS Number | 81929-45-5 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCCCC |
Product Overview
Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans- (CAS 81929-45-5), with molecular formula C30H42O2 and molecular weight 434.32 g/mol. IUPAC: (4-hexylphenyl) 4-(4-pentylcyclohexyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans-
Property Insights of Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans-
The XLogP value of 8.8827 indicates that Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans- 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-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans- 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-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans-?
The CAS number of Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans- is 81929-45-5.
What is the molecular formula of Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans-?
The molecular formula of Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans- is C30H42O2.
What is the molecular weight of Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans-?
The molecular weight of Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans- is 434.32 g/mol.
Where can I buy Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans-?
You can request a quote for Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans- 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-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-hexylphenyl ester, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.