Ethyl 3,5-diethoxybenzoate
TL;DR: Ethyl 3,5-diethoxybenzoate (CAS 351002-95-4) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-diethoxybenzoate
Also Known As: Ethyl 3,5-diethoxybenzoate, ETHYL3,5-DIETHOXYBENZOATE, Ethyl 3,5-diethoxybenzoate, 97%, Benzoic acid,3,5-diethoxy-, ethyl ester, Benzoic acid,3,5-diethoxy-,ethyl ester
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 2.6607 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 349.43225 |
Chemical Identifiers
| CAS Number | 351002-95-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1)C(=O)OCC)OCC |
Product Overview
Ethyl 3,5-diethoxybenzoate (CAS 351002-95-4), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: ethyl 3,5-diethoxybenzoate.
Chemical Property Profile of Ethyl 3,5-diethoxybenzoate
Property Insights of Ethyl 3,5-diethoxybenzoate
The XLogP value of 2.6607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-diethoxybenzoate. With a topological polar surface area (TPSA) of 44.76 Ų, Ethyl 3,5-diethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-diethoxybenzoate 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 3,5-diethoxybenzoate?
The CAS number of Ethyl 3,5-diethoxybenzoate is 351002-95-4.
What is the molecular formula of Ethyl 3,5-diethoxybenzoate?
The molecular formula of Ethyl 3,5-diethoxybenzoate is C13H18O4.
What is the molecular weight of Ethyl 3,5-diethoxybenzoate?
The molecular weight of Ethyl 3,5-diethoxybenzoate is 238.12 g/mol.
Where can I buy Ethyl 3,5-diethoxybenzoate?
You can request a quote for Ethyl 3,5-diethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-diethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-diethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.