Ethyl 3,5-dichloro-4-propoxybenzoate
TL;DR: Ethyl 3,5-dichloro-4-propoxybenzoate (CAS 40689-35-8) is a chemical compound with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dichloro-4-propoxybenzoate
Also Known As: ethyl 3,5-dichloro-4-propoxybenzoate, Benzoic acid,3,5-dichloro-4-propoxy-, ethyl ester, Ethyl3,5-dichloro-4-propoxybenzoate, ethyl 3,5-dichloro-4-propoxy-benzoate, 3,5-dichloro-4-propoxybenzoic acid ethyl ester
| Molecular Formula | C12H14Cl2O3 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 3.9589 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.032 |
| Heavy Atoms | 17 |
| Complexity | 381.73236 |
Chemical Identifiers
| CAS Number | 40689-35-8 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1Cl)C(=O)OCC)Cl |
Product Overview
Ethyl 3,5-dichloro-4-propoxybenzoate (CAS 40689-35-8), with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol. IUPAC: ethyl 3,5-dichloro-4-propoxybenzoate.
Chemical Property Profile of Ethyl 3,5-dichloro-4-propoxybenzoate
Property Insights of Ethyl 3,5-dichloro-4-propoxybenzoate
The XLogP value of 3.9589 indicates that Ethyl 3,5-dichloro-4-propoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 3,5-dichloro-4-propoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-dichloro-4-propoxybenzoate has 0 hydrogen bond donor(s) and 3 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-dichloro-4-propoxybenzoate?
The CAS number of Ethyl 3,5-dichloro-4-propoxybenzoate is 40689-35-8.
What is the molecular formula of Ethyl 3,5-dichloro-4-propoxybenzoate?
The molecular formula of Ethyl 3,5-dichloro-4-propoxybenzoate is C12H14Cl2O3.
What is the molecular weight of Ethyl 3,5-dichloro-4-propoxybenzoate?
The molecular weight of Ethyl 3,5-dichloro-4-propoxybenzoate is 276.03 g/mol.
Where can I buy Ethyl 3,5-dichloro-4-propoxybenzoate?
You can request a quote for Ethyl 3,5-dichloro-4-propoxybenzoate 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-dichloro-4-propoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-dichloro-4-propoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.