Atrovirinone
TL;DR: Atrovirinone (CAS 356053-82-2) is a chemical compound with molecular formula C25H28O8 and molecular weight 456.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dihydroxy-6-[2-methoxy-4,5-bis(3-methylbut-2-enyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]oxybenzoate
Also Known As: Atrovirinone, J1.602.740E, methyl 2,4-dihydroxy-6-[2-methoxy-4,5-bis(3-methylbut-2-enyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]oxybenzoate, methyl 2,4-dihydroxy-6-{[2-methoxy-4,5-bis(3-methylbut-2-en-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]oxy}benzoate, 2-[2-Methoxy-3,6-dioxo-4,5-bis(3-methyl-2-butenyl)-1,4-cyclohexadienyloxy]-4,6-dihydroxybenzoic acid methyl ester
| Molecular Formula | C25H28O8 |
|---|---|
| Molecular Weight | 456.18 g/mol |
| LogP | 4.2822 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.1784 |
| Heavy Atoms | 33 |
| Complexity | 1107.4613 |
Chemical Identifiers
| CAS Number | 356053-82-2 |
|---|---|
| SMILES | CC(=CCC1=C(C(=O)C(=C(C1=O)OC)OC2=CC(=CC(=C2C(=O)OC)O)O)CC=C(C)C)C |
Product Overview
Atrovirinone (CAS 356053-82-2), with molecular formula C25H28O8 and molecular weight 456.18 g/mol. IUPAC: methyl 2,4-dihydroxy-6-[2-methoxy-4,5-bis(3-methylbut-2-enyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]oxybenzoate.
Chemical Property Profile of Atrovirinone
Property Insights of Atrovirinone
The XLogP value of 4.2822 indicates that Atrovirinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Atrovirinone. Following Lipinski's Rule of Five, Atrovirinone 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 Atrovirinone?
The CAS number of Atrovirinone is 356053-82-2.
What is the molecular formula of Atrovirinone?
The molecular formula of Atrovirinone is C25H28O8.
What is the molecular weight of Atrovirinone?
The molecular weight of Atrovirinone is 456.18 g/mol.
Where can I buy Atrovirinone?
You can request a quote for Atrovirinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atrovirinone?
Yes, KEHONG BIO provides custom synthesis services for Atrovirinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.