Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester
TL;DR: Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester (CAS 78329-84-7) is a chemical compound with molecular formula C17H27NO4 and molecular weight 309.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethyl(2-hydroxyethyl)amino]ethyl 4-butoxybenzoate
Also Known As: 2-[ethyl(2-hydroxyethyl)amino]ethyl 4-butoxybenzoate, 3-10-00-00329 (Beilstein Handbook Reference), beta-(N-Ethyl-N-beta-hydroxyethylamino)ethyl 4-n-butoxybenzoate, 1,2,3,4-tetrahydrotetraphene-2,3,4-triol, BENZOIC ACID, 4-BUTOXY-, 2-(ETHYL(2-HYDROXYETHYL)AMINO)ETHYL ESTER
| Molecular Formula | C17H27NO4 |
|---|---|
| Molecular Weight | 309.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 309.194 |
| Heavy Atoms | 22 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 78329-84-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OCCN(CC)CCO |
| InChIKey | KAUMHPBUKFASKC-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester (CAS 78329-84-7), with molecular formula C17H27NO4 and molecular weight 309.19 g/mol. IUPAC: 2-[ethyl(2-hydroxyethyl)amino]ethyl 4-butoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester
Property Insights of Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester
The XLogP value of 3.6 indicates that Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester 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 Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester?
The CAS number of Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester is 78329-84-7.
What is the molecular formula of Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester?
The molecular formula of Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester is C17H27NO4.
What is the molecular weight of Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester?
The molecular weight of Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester is 309.19 g/mol.
Where can I buy Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester?
You can request a quote for Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.