Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester
TL;DR: Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester (CAS 104270-87-3) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-formyl-2,3-dimethoxybenzoate
Also Known As: Ethyl 6-formyl-2,3-dimethoxybenzoate, Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester, 6-Formyl-2,3-dimethoxy-benzoic acid ethyl ester, Ethyl 6-formyl-2,3-dimethoxybenzoate #, "6-Formyl-2,3-dimethoxy-benzoic Acid Ethyl Ester"
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 104270-87-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1OC)OC)C=O |
| InChIKey | PKGXRMRBBDDPQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester (CAS 104270-87-3), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: ethyl 6-formyl-2,3-dimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester
Property Insights of Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester 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 Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester?
The CAS number of Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester is 104270-87-3.
What is the molecular formula of Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester?
The molecular formula of Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester is C12H14O5.
What is the molecular weight of Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester?
The molecular weight of Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester is 238.08 g/mol.
Where can I buy Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester?
You can request a quote for Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 6-formyl-2,3-dimethoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.