RefChem:86609
TL;DR: RefChem:86609 (CAS 72258-28-7) is a chemical compound with molecular formula C29H52O4 and molecular weight 464.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohex-3-ene-1-carboxylic acid
Also Known As: 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, mono(2-ethylhexyl) ester, (1S,2R,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohex-3-ene-1-carboxylic acid, RefChem:86609
| Molecular Formula | C29H52O4 |
|---|---|
| Molecular Weight | 464.39 g/mol |
| LogP | 8.3402 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 464.38657 |
| Heavy Atoms | 33 |
| Complexity | 541.7399 |
Chemical Identifiers
| CAS Number | 72258-28-7 |
|---|---|
| SMILES | CCCCCC[C@@H]1C=C[C@H](C[C@@H]1C(=O)O)CCCCCCCC(=O)OC[C@@H](CC)CCCC |
Product Overview
RefChem:86609 (CAS 72258-28-7), with molecular formula C29H52O4 and molecular weight 464.39 g/mol. IUPAC: (1S,2R,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of RefChem:86609
Property Insights of RefChem:86609
The XLogP value of 8.3402 indicates that RefChem:86609 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 RefChem:86609. Following Lipinski's Rule of Five, RefChem:86609 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 RefChem:86609?
The CAS number of RefChem:86609 is 72258-28-7.
What is the molecular formula of RefChem:86609?
The molecular formula of RefChem:86609 is C29H52O4.
What is the molecular weight of RefChem:86609?
The molecular weight of RefChem:86609 is 464.39 g/mol.
Where can I buy RefChem:86609?
You can request a quote for RefChem:86609 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:86609?
Yes, KEHONG BIO provides custom synthesis services for RefChem:86609 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.