Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate
TL;DR: Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate (CAS 38629-37-7) 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 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate
Also Known As: Ethyl 4-O-methylhaematommate, Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate, Benzoic acid, 3-formyl-2-hydroxy-4-methoxy-6-methyl-, ethyl ester, ethyl 2-hydroxy-3-formyl-4-methoxy-6-methylbenzoate, Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate #
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 38629-37-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C=C1C)OC)C=O)O |
| InChIKey | YQMIEZNZSAHWLU-UHFFFAOYSA-N |
Product Overview
Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate (CAS 38629-37-7), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate.
Chemical Property Profile of Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate
Property Insights of Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate. Following Lipinski's Rule of Five, Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate 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 Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate?
The CAS number of Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate is 38629-37-7.
What is the molecular formula of Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate?
The molecular formula of Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate is C12H14O5.
What is the molecular weight of Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate?
The molecular weight of Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate is 238.08 g/mol.
Where can I buy Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate?
You can request a quote for Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-formyl-2-hydroxy-4-methoxy-6-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.