RefChem:129590
TL;DR: RefChem:129590 (CAS 72245-39-7) is a chemical compound with molecular formula C37H70O4 and molecular weight 578.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-2-ethylhexyl] (1R,2S,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate
Also Known As: Cyclohexaneoctanoic acid, (((2-ethylhexyl)oxy)carbonyl)-4-hexyl-, 2-ethylhexyl ester, Cyclohexaneoctanoic acid, [[(2-ethylhexyl)oxy]carbonyl]-4-hexyl-, 2-ethylhexyl ester, [(2S)-2-ethylhexyl] (1R,2S,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate, RefChem:129590
| Molecular Formula | C37H70O4 |
|---|---|
| Molecular Weight | 578.53 g/mol |
| LogP | 11.2392 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 578.5274 |
| Heavy Atoms | 41 |
| Complexity | 632.4377 |
Chemical Identifiers
| CAS Number | 72245-39-7 |
|---|---|
| SMILES | CCCCCC[C@H]1CC[C@@H](C[C@H]1C(=O)OC[C@@H](CC)CCCC)CCCCCCCC(=O)OC[C@@H](CC)CCCC |
Product Overview
RefChem:129590 (CAS 72245-39-7), with molecular formula C37H70O4 and molecular weight 578.53 g/mol. IUPAC: [(2S)-2-ethylhexyl] (1R,2S,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate.
Chemical Property Profile of RefChem:129590
Property Insights of RefChem:129590
The XLogP value of 11.2392 indicates that RefChem:129590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:129590 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:129590 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 RefChem:129590?
The CAS number of RefChem:129590 is 72245-39-7.
What is the molecular formula of RefChem:129590?
The molecular formula of RefChem:129590 is C37H70O4.
What is the molecular weight of RefChem:129590?
The molecular weight of RefChem:129590 is 578.53 g/mol.
Where can I buy RefChem:129590?
You can request a quote for RefChem:129590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:129590?
Yes, KEHONG BIO provides custom synthesis services for RefChem:129590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.