3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester
TL;DR: 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester (CAS 19802-83-6) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetyl-2,4-dihydroxy-6-methylbenzoate
Also Known As: Methyl 3-acetyl-2,4-dihydroxy-6-methylbenzoate, Methyl 3-acetyl-2,4-dihydroxy-6-methylbenzoate #, 3-acetyl-2,4-dihydroxy-6-methyl-benzoic acid methyl ester, 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 19802-83-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC)O)C(=O)C)O |
| InChIKey | UMIALPHSWWCBPR-UHFFFAOYSA-N |
Product Overview
3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester (CAS 19802-83-6), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: methyl 3-acetyl-2,4-dihydroxy-6-methylbenzoate.
Chemical Property Profile of 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester
Property Insights of 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester. Following Lipinski's Rule of Five, 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester has 2 hydrogen bond donor(s) and 5 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 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester?
The CAS number of 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester is 19802-83-6.
What is the molecular formula of 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester?
The molecular formula of 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester is C11H12O5.
What is the molecular weight of 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester?
The molecular weight of 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester is 224.07 g/mol.
Where can I buy 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester?
You can request a quote for 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.