Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester
TL;DR: Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester (CAS 38973-74-9) is a chemical compound with molecular formula C19H31NO3 and molecular weight 321.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-hexoxybenzoate
Also Known As: 2-diethylaminoethyl 4-hexoxybenzoate, 2-(diethylamino)ethyl 4-hexoxybenzoate, 2-(diethylamino)ethyl 4-(hexyloxy)benzoate, 4-Hexoxybenzoesaeurediethylaminoethylester, Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester
| Molecular Formula | C19H31NO3 |
|---|---|
| Molecular Weight | 321.23 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 321.2304 |
| Heavy Atoms | 23 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 38973-74-9 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)OCCN(CC)CC |
| InChIKey | FJLIJPPHCRTBKL-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester (CAS 38973-74-9), with molecular formula C19H31NO3 and molecular weight 321.23 g/mol. IUPAC: 2-(diethylamino)ethyl 4-hexoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester
Property Insights of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester
The XLogP value of 5.7 indicates that Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester?
The CAS number of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester is 38973-74-9.
What is the molecular formula of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester?
The molecular formula of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester is C19H31NO3.
What is the molecular weight of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester?
The molecular weight of Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester is 321.23 g/mol.
Where can I buy Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester?
You can request a quote for Benzoic acid, 4-(hexyloxy)-, 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, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.