Ethyl 3-formyl-4-methoxybenzoate
TL;DR: Ethyl 3-formyl-4-methoxybenzoate (CAS 122136-03-2) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-formyl-4-methoxybenzoate
Also Known As: ethyl 3-formyl-4-methoxybenzoate, benzoic acid, 3-formyl-4-methoxy-, ethyl ester, 3-Formyl-4-methoxy-benzoic acid ethyl ester, RefChem:343419, InChI=1/C11H12O4/c1-3-15-11(13)8-4-5-10(14-2)9(6-8)7-12/h4-7H,3H2,1-2H
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 122136-03-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)OC)C=O |
| InChIKey | JCVZWEULABNSDR-UHFFFAOYSA-N |
Product Overview
Ethyl 3-formyl-4-methoxybenzoate (CAS 122136-03-2), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: ethyl 3-formyl-4-methoxybenzoate.
Chemical Property Profile of Ethyl 3-formyl-4-methoxybenzoate
Property Insights of Ethyl 3-formyl-4-methoxybenzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-formyl-4-methoxybenzoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-formyl-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-formyl-4-methoxybenzoate has 0 hydrogen bond donor(s) and 4 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-4-methoxybenzoate?
The CAS number of Ethyl 3-formyl-4-methoxybenzoate is 122136-03-2.
What is the molecular formula of Ethyl 3-formyl-4-methoxybenzoate?
The molecular formula of Ethyl 3-formyl-4-methoxybenzoate is C11H12O4.
What is the molecular weight of Ethyl 3-formyl-4-methoxybenzoate?
The molecular weight of Ethyl 3-formyl-4-methoxybenzoate is 208.07 g/mol.
Where can I buy Ethyl 3-formyl-4-methoxybenzoate?
You can request a quote for Ethyl 3-formyl-4-methoxybenzoate 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-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-formyl-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.