3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid
TL;DR: 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid (CAS 835894-62-7) is a chemical compound with molecular formula C12H14O6 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
Also Known As: 3-methoxy-4-(1-methoxycarbonylethoxy)benzoic Acid, 3-methoxy-4-[(methoxycarbonyl)ethoxy]benzoic acid, 3-METHOXY-4-(2-METHOXY-1-METHYL-2-OXOETHOXY)BENZOIC ACID, 3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid, 3-methoxy-4-[(1-methoxy-1-oxopropan-2-yl)oxy]benzoic acid
| Molecular Formula | C12H14O6 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 1.3337 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.07904 |
| Heavy Atoms | 18 |
| Complexity | 453.8809 |
Chemical Identifiers
| CAS Number | 835894-62-7 |
|---|---|
| SMILES | CC(C(=O)OC)OC1=C(C=C(C=C1)C(=O)O)OC |
Product Overview
3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid (CAS 835894-62-7), with molecular formula C12H14O6 and molecular weight 254.08 g/mol. IUPAC: 3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid.
Chemical Property Profile of 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid
Property Insights of 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid
The XLogP value of 1.3337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid. Following Lipinski's Rule of Five, 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid has 1 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-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid?
The CAS number of 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid is 835894-62-7.
What is the molecular formula of 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid?
The molecular formula of 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid is C12H14O6.
What is the molecular weight of 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid?
The molecular weight of 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid is 254.08 g/mol.
Where can I buy 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid?
You can request a quote for 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.