Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester
TL;DR: Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester (CAS 72245-41-1) is a chemical compound with molecular formula C45H86O4 and molecular weight 690.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl (1R,2S,5S)-5-(8-dodecoxy-8-oxooctyl)-2-hexylcyclohexane-1-carboxylate
Also Known As: Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester, Cyclohexaneoctanoic acid, [(dodecyloxy)carbonyl]-4-hexyl-, dodecyl ester, dodecyl (1R,2S,5S)-5-(8-dodecoxy-8-oxooctyl)-2-hexylcyclohexane-1-carboxylate, RefChem:129591
| Molecular Formula | C45H86O4 |
|---|---|
| Molecular Weight | 690.65 g/mol |
| LogP | 14.6482 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 36 |
| Exact Mass | 690.6526 |
| Heavy Atoms | 49 |
| Complexity | 720.8143 |
Chemical Identifiers
| CAS Number | 72245-41-1 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCCCCCC[C@H]1CC[C@@H]([C@@H](C1)C(=O)OCCCCCCCCCCCC)CCCCCC |
Product Overview
Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester (CAS 72245-41-1), with molecular formula C45H86O4 and molecular weight 690.65 g/mol. IUPAC: dodecyl (1R,2S,5S)-5-(8-dodecoxy-8-oxooctyl)-2-hexylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester
Property Insights of Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester
The XLogP value of 14.6482 indicates that Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester?
The CAS number of Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester is 72245-41-1.
What is the molecular formula of Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester?
The molecular formula of Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester is C45H86O4.
What is the molecular weight of Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester?
The molecular weight of Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester is 690.65 g/mol.
Where can I buy Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester?
You can request a quote for Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.