Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester
TL;DR: Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester (CAS 78330-03-7) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 4-(2-phenylethoxy)benzoate
Also Known As: 3-(Dimethylamino)propyl 4-(2-phenylethoxy)benzoate, BENZOIC ACID, 4-PHENETHOXY-, 3-(DIMETHYLAMINO)PROPYL ESTER, gamma-Dimethylaminopropyl 4-(beta-phenylethoxy)-benzoate, 3-(dimethylamino)propyl 4-phenethyloxybenzoate, 4-(2-Phenylethoxy)benzoic acid 3-(dimethylamino)propyl ester
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 78330-03-7 |
|---|---|
| SMILES | CN(C)CCCOC(=O)C1=CC=C(C=C1)OCCC2=CC=CC=C2 |
| InChIKey | QJJHOYPVLFABDR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester (CAS 78330-03-7), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: 3-(dimethylamino)propyl 4-(2-phenylethoxy)benzoate.
Chemical Property Profile of Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester
Property Insights of Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester
The XLogP value of 4.1 indicates that Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl 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-phenethoxy-, 3-(dimethylamino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester has 0 hydrogen bond donor(s) and 4 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-phenethoxy-, 3-(dimethylamino)propyl ester?
The CAS number of Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester is 78330-03-7.
What is the molecular formula of Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester?
The molecular formula of Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester is C20H25NO3.
What is the molecular weight of Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester?
The molecular weight of Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester is 327.18 g/mol.
Where can I buy Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester?
You can request a quote for Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl 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-phenethoxy-, 3-(dimethylamino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.