2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester
TL;DR: 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester (CAS 68330-69-8) is a chemical compound with molecular formula C26H46O4 and molecular weight 422.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5R)-2-hexyl-5-(8-oxo-8-pentoxyoctyl)cyclohex-3-ene-1-carboxylic acid
Also Known As: 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester, 5(6)-carboxy-4-hexyl-2-cyclohexene-1-octanoic acid pentyl ester, (1R,2R,5R)-2-hexyl-5-(8-oxo-8-pentoxyoctyl)cyclohex-3-ene-1-carboxylic acid, RefChem:86611
| Molecular Formula | C26H46O4 |
|---|---|
| Molecular Weight | 422.34 g/mol |
| LogP | 7.314 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 422.3396 |
| Heavy Atoms | 30 |
| Complexity | 485.42526 |
Chemical Identifiers
| CAS Number | 68330-69-8 |
|---|---|
| SMILES | CCCCCC[C@@H]1C=C[C@@H](C[C@H]1C(=O)O)CCCCCCCC(=O)OCCCCC |
Product Overview
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester (CAS 68330-69-8), with molecular formula C26H46O4 and molecular weight 422.34 g/mol. IUPAC: (1R,2R,5R)-2-hexyl-5-(8-oxo-8-pentoxyoctyl)cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester
Property Insights of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester
The XLogP value of 7.314 indicates that 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl 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-, pentyl ester. Following Lipinski's Rule of Five, 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl 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-, pentyl ester?
The CAS number of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester is 68330-69-8.
What is the molecular formula of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester?
The molecular formula of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester is C26H46O4.
What is the molecular weight of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester?
The molecular weight of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester is 422.34 g/mol.
Where can I buy 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester?
You can request a quote for 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl 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-, pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.