Methyl evernate
TL;DR: Methyl evernate (CAS 3542-22-1) is a chemical compound with molecular formula C18H18O7 and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 2-hydroxy-4-methoxy-6-methylbenzoate
Also Known As: Methyl evernate, Metyl evernate, 2,6-Cresotic acid, 4-methoxy-, 4-ester with methyl 6-methyl-.beta.-resorcylate, Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methyl-, methyl ester, (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 2-hydroxy-4-methoxy-6-methylbenzoate
| Molecular Formula | C18H18O7 |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.10526 |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 3542-22-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC)O)O)OC |
| InChIKey | IUAPPXZOQIJVBW-UHFFFAOYSA-N |
Product Overview
Methyl evernate (CAS 3542-22-1), with molecular formula C18H18O7 and molecular weight 346.11 g/mol. IUPAC: (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 2-hydroxy-4-methoxy-6-methylbenzoate.
Chemical Property Profile of Methyl evernate
Property Insights of Methyl evernate
The XLogP value of 4.3 indicates that Methyl evernate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl evernate. Following Lipinski's Rule of Five, Methyl evernate has 2 hydrogen bond donor(s) and 7 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 Methyl evernate?
The CAS number of Methyl evernate is 3542-22-1.
What is the molecular formula of Methyl evernate?
The molecular formula of Methyl evernate is C18H18O7.
What is the molecular weight of Methyl evernate?
The molecular weight of Methyl evernate is 346.11 g/mol.
Where can I buy Methyl evernate?
You can request a quote for Methyl evernate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl evernate?
Yes, KEHONG BIO provides custom synthesis services for Methyl evernate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.