3,5-二甲基-4-丙氧基苯甲酸乙酯
TL;DR: 3,5-二甲基-4-丙氧基苯甲酸乙酯 (CAS 100311-41-9) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二甲基-4-丙氧基苯甲酸乙酯
ethyl 3,5-dimethyl-4-propoxybenzoate
Also Known As: Ethyl 3,5-dimethyl-4-propoxybenzoate, 3,5-Dimethyl-4-propoxybenzoic acid ethyl ester, BENZOIC ACID, 3,5-DIMETHYL-4-PROPOXY-, ETHYL ESTER, 3,5-Dimethyl-4-propoxy-benzoic acid ethyl ester, BRN 2653232
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 100311-41-9 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1C)C(=O)OCC)C |
| InChIKey | WYSMCOXLYZULTP-UHFFFAOYSA-N |
Product Overview
3,5-二甲基-4-丙氧基苯甲酸乙酯 (CAS 100311-41-9), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: ethyl 3,5-dimethyl-4-propoxybenzoate.
Chemical Property Profile of 3,5-二甲基-4-丙氧基苯甲酸乙酯
Property Insights of 3,5-二甲基-4-丙氧基苯甲酸乙酯
The XLogP value of 3.7 indicates that 3,5-二甲基-4-丙氧基苯甲酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3,5-二甲基-4-丙氧基苯甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二甲基-4-丙氧基苯甲酸乙酯 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 3,5-二甲基-4-丙氧基苯甲酸乙酯?
The CAS number of 3,5-二甲基-4-丙氧基苯甲酸乙酯 is 100311-41-9.
What is the molecular formula of 3,5-二甲基-4-丙氧基苯甲酸乙酯?
The molecular formula of 3,5-二甲基-4-丙氧基苯甲酸乙酯 is C14H20O3.
What is the molecular weight of 3,5-二甲基-4-丙氧基苯甲酸乙酯?
The molecular weight of 3,5-二甲基-4-丙氧基苯甲酸乙酯 is 236.14 g/mol.
Where can I buy 3,5-二甲基-4-丙氧基苯甲酸乙酯?
You can request a quote for 3,5-二甲基-4-丙氧基苯甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二甲基-4-丙氧基苯甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲基-4-丙氧基苯甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.