2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate)
TL;DR: 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate) (CAS 28293-27-8) is a chemical compound with molecular formula C18H24O8 and molecular weight 368.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5-dihydroxy-4-(4-methylpentanoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 4-methylpentanoate
Also Known As: 2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate), [2,5-dihydroxy-4-(4-methylpentanoyloxy)-3,6-dioxocyclohexa-1, [2,5-dihydroxy-4-(4-methylpentanoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 4-methylpentanoate, Pentanoic acid,4-methyl-, 2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl ester (9CI)
| Molecular Formula | C18H24O8 |
|---|---|
| Molecular Weight | 368.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.14713 |
| Heavy Atoms | 26 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 28293-27-8 |
|---|---|
| SMILES | CC(C)CCC(=O)OC1=C(C(=O)C(=C(C1=O)O)OC(=O)CCC(C)C)O |
| InChIKey | LEIOANWTOIEFFT-UHFFFAOYSA-N |
Product Overview
2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate) (CAS 28293-27-8), with molecular formula C18H24O8 and molecular weight 368.15 g/mol. IUPAC: [2,5-dihydroxy-4-(4-methylpentanoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 4-methylpentanoate.
Chemical Property Profile of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate)
Property Insights of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate)
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate). The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate). Following Lipinski's Rule of Five, 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate)?
The CAS number of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate) is 28293-27-8.
What is the molecular formula of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate)?
The molecular formula of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate) is C18H24O8.
What is the molecular weight of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate)?
The molecular weight of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate) is 368.15 g/mol.
Where can I buy 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate)?
You can request a quote for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate)?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl bis(4-methylpentanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.