RefChem:416294
TL;DR: RefChem:416294 (CAS 85238-64-8) is a chemical compound with molecular formula C32H54O6 and molecular weight 534.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 5-[4-(6-hexoxy-2-methyl-6-oxohexan-2-yl)-2,5-dihydroxyphenyl]-5-methylhexanoate
Also Known As: 2,5-Di(1,1-dimethyl-4-hexyloxycarbonylbutyl)hydroquinone, 1,4-Benzenedipentanoic acid, 2,5-dihydroxy-delta,delta,delta',delta'-tetramethyl-, dihexyl ester, 1,4-Benzenedipentanoic acid, 2,5-dihydroxy-delta1,delta1,delta4,delta4-tetramethyl-, 1,4-dihexyl ester, Dihexyl 2,5-dihydroxy-.delta.,.delta.,.delta.',.delta.'-tetramethylbenzene-1,4-divalerate, Dihexyl 5,5'-(2,5-dihydroxy-1,4-phenylene)bis(5-methylhexanoate)
| Molecular Formula | C32H54O6 |
|---|---|
| Molecular Weight | 534.39 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Exact Mass | 534.392 |
| Heavy Atoms | 38 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 85238-64-8 |
|---|---|
| SMILES | CCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCCC(=O)OCCCCCC)O |
| InChIKey | ZJTCHWNYUAHHDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:416294 (CAS 85238-64-8), with molecular formula C32H54O6 and molecular weight 534.39 g/mol. IUPAC: hexyl 5-[4-(6-hexoxy-2-methyl-6-oxohexan-2-yl)-2,5-dihydroxyphenyl]-5-methylhexanoate.
Chemical Property Profile of RefChem:416294
Property Insights of RefChem:416294
The XLogP value of 9.6 indicates that RefChem:416294 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:416294. Following Lipinski's Rule of Five, RefChem:416294 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:416294?
The CAS number of RefChem:416294 is 85238-64-8.
What is the molecular formula of RefChem:416294?
The molecular formula of RefChem:416294 is C32H54O6.
What is the molecular weight of RefChem:416294?
The molecular weight of RefChem:416294 is 534.39 g/mol.
Where can I buy RefChem:416294?
You can request a quote for RefChem:416294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:416294?
Yes, KEHONG BIO provides custom synthesis services for RefChem:416294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.