2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester
TL;DR: 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester (CAS 72258-29-8) is a chemical compound with molecular formula C33H60O4 and molecular weight 520.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexylcyclohex-2-en-1-yl]octanoic acid
Also Known As: 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester, 8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexylcyclohex-2-en-1-yl]octanoic acid, RefChem:86610
| Molecular Formula | C33H60O4 |
|---|---|
| Molecular Weight | 520.45 g/mol |
| LogP | 10.0447 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 25 |
| Exact Mass | 520.44916 |
| Heavy Atoms | 37 |
| Complexity | 584.87213 |
Chemical Identifiers
| CAS Number | 72258-29-8 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)[C@H]1C[C@@H](C=C[C@H]1CCCCCC)CCCCCCCC(=O)O |
Product Overview
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester (CAS 72258-29-8), with molecular formula C33H60O4 and molecular weight 520.45 g/mol. IUPAC: 8-[(1S,4R,5S)-5-dodecoxycarbonyl-4-hexylcyclohex-2-en-1-yl]octanoic acid.
Chemical Property Profile of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester
Property Insights of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester
The XLogP value of 10.0447 indicates that 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester. Following Lipinski's Rule of Five, 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester has 1 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 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester?
The CAS number of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester is 72258-29-8.
What is the molecular formula of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester?
The molecular formula of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester is C33H60O4.
What is the molecular weight of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester?
The molecular weight of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester is 520.45 g/mol.
Where can I buy 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester?
You can request a quote for 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, monododecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.