Agrimophol
TL;DR: Agrimophol (CAS 67939-94-0) is a chemical compound with molecular formula C26H34O8 and molecular weight 474.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one
Also Known As: Agrimophol, MEGxp0_000406, 6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one, 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-6-((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-, 2,4-Cyclohexadien-1-one, 6-((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-3,5-dihydroxy-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-
| Molecular Formula | C26H34O8 |
|---|---|
| Molecular Weight | 474.23 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.22537 |
| Heavy Atoms | 34 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 67939-94-0 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C(=C1O)CC2(C(=C(C(=C(C2=O)C(=O)C(C)CC)O)C)O)C)O)C)OC |
| InChIKey | NQGCBDWQKDAGTK-UHFFFAOYSA-N |
Product Overview
Agrimophol (CAS 67939-94-0), with molecular formula C26H34O8 and molecular weight 474.23 g/mol. IUPAC: 6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one.
Chemical Property Profile of Agrimophol
Property Insights of Agrimophol
The XLogP value of 4.6 indicates that Agrimophol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Agrimophol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Agrimophol has 4 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 Agrimophol?
The CAS number of Agrimophol is 67939-94-0.
What is the molecular formula of Agrimophol?
The molecular formula of Agrimophol is C26H34O8.
What is the molecular weight of Agrimophol?
The molecular weight of Agrimophol is 474.23 g/mol.
Where can I buy Agrimophol?
You can request a quote for Agrimophol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agrimophol?
Yes, KEHONG BIO provides custom synthesis services for Agrimophol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.