Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 35288-47-2) is a chemical compound with molecular formula C17H29ClN2O3 and molecular weight 344.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-amino-4-butoxybenzoyl)oxyethyl-diethylazanium chloride
Also Known As: 3-Amino-4-butoxybenzoic acid 2-(diethylamino)ethyl ester hydrochloride, 2-(3-amino-4-butoxybenzoyl)oxyethyl-diethylazanium chloride, 2-(Diethylamino)ethyl 3-amino-4-butoxybenzoate hydrochloride, beta-(Diethylamino)ethyl 3-amino-4-n-butoxybenzoate hydrochloride, BENZOIC ACID, 3-AMINO-4-BUTOXY-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
| Molecular Formula | C17H29ClN2O3 |
|---|---|
| Molecular Weight | 344.19 g/mol |
| LogP | -1.47 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 344.18668 |
| Heavy Atoms | 23 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 35288-47-2 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C(=O)OCC[NH+](CC)CC)N.[Cl-] |
| InChIKey | BQGDZHDSPHYNHF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 35288-47-2), with molecular formula C17H29ClN2O3 and molecular weight 344.19 g/mol. IUPAC: 2-(3-amino-4-butoxybenzoyl)oxyethyl-diethylazanium chloride.
Chemical Property Profile of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of -1.47 indicates that Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride has 2 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, hydrochloride?
The CAS number of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride is 35288-47-2.
What is the molecular formula of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride is C17H29ClN2O3.
What is the molecular weight of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride is 344.19 g/mol.
Where can I buy Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride 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, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-amino-4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.