RefChem:86605
TL;DR: RefChem:86605 (CAS 67844-46-6) is a chemical compound with molecular formula C37H68O4 and molecular weight 576.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-ethylhexyl) 2-(3-cyclohex-2-en-1-ylpropyl)-3-hexylhexanedioate
Also Known As: bis(2-ethylhexyl) 2-[3-(cyclohex-2-en-1-yl)propyl]-3-hexylhexanedioate, 2-Cyclohexene-1-octanoic acid, 5(or 6)-(((2-ethylhexyl)oxy)carbonyl)-4-hexyl-, 2-ethylhexyl ester, 5(6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid, bis(2-ethylhexyl) ester, 2-Ethylhexyl 5(or 6)-(((2-ethylhexyl)oxy)carbonyl)-4-hexyl-2-cyclohexene-1-octanoate, 2-Cyclohexene-1-octanoic acid, 5(or 6)-[[(2-ethylhexyl)oxy]carbonyl]-4-hexyl-, 2-ethylhexyl ester
| Molecular Formula | C37H68O4 |
|---|---|
| Molecular Weight | 576.51 g/mol |
| LogP | 13.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 28 |
| Exact Mass | 576.5118 |
| Heavy Atoms | 41 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 67844-46-6 |
|---|---|
| SMILES | CCCCCCC(CCC(=O)OCC(CC)CCCC)C(CCCC1CCCC=C1)C(=O)OCC(CC)CCCC |
| InChIKey | DVFSRCNTNCWQSO-UHFFFAOYSA-N |
Product Overview
RefChem:86605 (CAS 67844-46-6), with molecular formula C37H68O4 and molecular weight 576.51 g/mol. IUPAC: bis(2-ethylhexyl) 2-(3-cyclohex-2-en-1-ylpropyl)-3-hexylhexanedioate.
Chemical Property Profile of RefChem:86605
Property Insights of RefChem:86605
The XLogP value of 13.5 indicates that RefChem:86605 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:86605 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:86605 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:86605?
The CAS number of RefChem:86605 is 67844-46-6.
What is the molecular formula of RefChem:86605?
The molecular formula of RefChem:86605 is C37H68O4.
What is the molecular weight of RefChem:86605?
The molecular weight of RefChem:86605 is 576.51 g/mol.
Where can I buy RefChem:86605?
You can request a quote for RefChem:86605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:86605?
Yes, KEHONG BIO provides custom synthesis services for RefChem:86605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.