Phenarctin
TL;DR: Phenarctin (CAS 27839-39-0) is a chemical compound with molecular formula C21H20O9 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,5-diformyl-2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate
Also Known As: Phenarctin, 2-Hydroxy-3,5,6-trimethyl-4- benzoicacidmethylester, .beta.-Resorcylic acid, 3,5-diformyl-6-methyl-, 4-ester with methyl 3,5,6-trimethyl-.beta.-resorcylate, Benzoic acid, 3,5-diformyl-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester, methyl 4-(3,5-diformyl-2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate
| Molecular Formula | C21H20O9 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.11072 |
| Heavy Atoms | 30 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 27839-39-0 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C(=O)OC)O)C)OC(=O)C2=C(C(=C(C(=C2C)C=O)O)C=O)O)C |
| InChIKey | TZUKIKOHNDDFPS-UHFFFAOYSA-N |
Product Overview
Phenarctin (CAS 27839-39-0), with molecular formula C21H20O9 and molecular weight 416.11 g/mol. IUPAC: methyl 4-(3,5-diformyl-2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate.
Chemical Property Profile of Phenarctin
Property Insights of Phenarctin
The XLogP value of 4.2 indicates that Phenarctin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting Phenarctin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenarctin has 3 hydrogen bond donor(s) and 9 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 Phenarctin?
The CAS number of Phenarctin is 27839-39-0.
What is the molecular formula of Phenarctin?
The molecular formula of Phenarctin is C21H20O9.
What is the molecular weight of Phenarctin?
The molecular weight of Phenarctin is 416.11 g/mol.
Where can I buy Phenarctin?
You can request a quote for Phenarctin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenarctin?
Yes, KEHONG BIO provides custom synthesis services for Phenarctin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.