Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester
TL;DR: Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester (CAS 78329-82-5) is a chemical compound with molecular formula C26H38N2O3 and molecular weight 426.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(dimethylamino)-2-[(dimethylamino)methyl]-4-phenylbutan-2-yl] 4-butoxybenzoate
Also Known As: 1,1-Bis((dimethylamino)methyl)-3-phenylpropyl 4-butoxybenzoate, BENZOIC ACID, 4-BUTOXY-, 1,1-BIS((DIMETHYLAMINO)METHYL)-3-PHENYLPROPYL ESTER, 4-Butoxybenzoic acid 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester, alpha,alpha-Di-((dimethylamino)methyl)-gamma-phenylpropyl 4-n-butoxybenzoate, [1-(Dimethylamino)-2-(dimethylaminomethyl)-4-phenylbutan-2-yl]4-butoxybenzoate
| Molecular Formula | C26H38N2O3 |
|---|---|
| Molecular Weight | 426.29 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 426.28824 |
| Heavy Atoms | 31 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 78329-82-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OC(CCC2=CC=CC=C2)(CN(C)C)CN(C)C |
| InChIKey | FTPBXVAJKGEDJB-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester (CAS 78329-82-5), with molecular formula C26H38N2O3 and molecular weight 426.29 g/mol. IUPAC: [1-(dimethylamino)-2-[(dimethylamino)methyl]-4-phenylbutan-2-yl] 4-butoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester
Property Insights of Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester
The XLogP value of 5.3 indicates that Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester has 0 hydrogen bond donor(s) and 5 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-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester?
The CAS number of Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester is 78329-82-5.
What is the molecular formula of Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester?
The molecular formula of Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester is C26H38N2O3.
What is the molecular weight of Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester?
The molecular weight of Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester is 426.29 g/mol.
Where can I buy Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester?
You can request a quote for Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl 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-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.