Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester
TL;DR: Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester (CAS 3758-43-8) is a chemical compound with molecular formula C17H28N2O3 and molecular weight 308.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-amino-4-butoxybenzoate
Also Known As: 2-(Diethylamino)ethyl 3-amino-4-butoxybenzoate, beta-(Diethylamino)ethyl 3-amino-4-n-butoxybenzoate, 3-Amino-4-butoxybenzoic acid 2-(diethylamino)ethyl ester, 4-14-00-02092 (Beilstein Handbook Reference), 2-diethylaminoethyl 3-amino-4-butoxybenzoate
| Molecular Formula | C17H28N2O3 |
|---|---|
| Molecular Weight | 308.21 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 308.21 |
| Heavy Atoms | 22 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 3758-43-8 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N |
| InChIKey | NGHJVARORPXGJL-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester (CAS 3758-43-8), with molecular formula C17H28N2O3 and molecular weight 308.21 g/mol. IUPAC: 2-(diethylamino)ethyl 3-amino-4-butoxybenzoate.
Chemical Property Profile of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester
Property Insights of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester
The XLogP value of 3.1 indicates that Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)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, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester?
The CAS number of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester is 3758-43-8.
What is the molecular formula of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester?
The molecular formula of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester is C17H28N2O3.
What is the molecular weight of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester?
The molecular weight of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester is 308.21 g/mol.
Where can I buy Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester?
You can request a quote for Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)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, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.