Methyl 2-acetyloxy-3-methoxybenzoate
TL;DR: Methyl 2-acetyloxy-3-methoxybenzoate (CAS 500798-31-2) 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 2-acetyloxy-3-methoxybenzoate
Also Known As: methyl 2-(acetyloxy)-3-methoxybenzoate, methyl 2-acetyloxy-3-methoxybenzoate, 2-acetoxy-3-methoxy-benzoic acid methyl ester, 2-Acetoxy-3-methoxybenzoic acid methyl ester, J1.986.689K
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 500798-31-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC=C1OC)C(=O)OC |
| InChIKey | DWHIPKLRQSORII-UHFFFAOYSA-N |
Product Overview
Methyl 2-acetyloxy-3-methoxybenzoate (CAS 500798-31-2), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: methyl 2-acetyloxy-3-methoxybenzoate.
Chemical Property Profile of Methyl 2-acetyloxy-3-methoxybenzoate
Property Insights of Methyl 2-acetyloxy-3-methoxybenzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetyloxy-3-methoxybenzoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-acetyloxy-3-methoxybenzoate. Following Lipinski's Rule of Five, Methyl 2-acetyloxy-3-methoxybenzoate has 0 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 Methyl 2-acetyloxy-3-methoxybenzoate?
The CAS number of Methyl 2-acetyloxy-3-methoxybenzoate is 500798-31-2.
What is the molecular formula of Methyl 2-acetyloxy-3-methoxybenzoate?
The molecular formula of Methyl 2-acetyloxy-3-methoxybenzoate is C11H12O5.
What is the molecular weight of Methyl 2-acetyloxy-3-methoxybenzoate?
The molecular weight of Methyl 2-acetyloxy-3-methoxybenzoate is 224.07 g/mol.
Where can I buy Methyl 2-acetyloxy-3-methoxybenzoate?
You can request a quote for Methyl 2-acetyloxy-3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetyloxy-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetyloxy-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.