Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester
TL;DR: Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester (CAS 78329-96-1) is a chemical compound with molecular formula C23H40N2O2 and molecular weight 376.309 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dibutylamino)propyl 4-(diethylaminomethyl)benzoate
Also Known As: 3-(dibutylamino)propyl 4-[(diethylamino)methyl]benzoate, 3-(Dibutylamino)propyl p-(diethylaminomethyl)benzoate, 3-14-00-01214 (Beilstein Handbook Reference), p-Diethylaminomethylbenzoic acid 3-(dibutylamino)propyl ester, BENZOIC ACID, p-(DIETHYLAMINOMETHYL)-, 3-(DIBUTYLAMINO)PROPYL ESTER
Technical Specifications
| Molecular Formula | C23H40N2O2 |
| Molecular Weight | 376.309 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 376.309 Da |
| Heavy Atoms | 27 |
| Complexity | 355.0 |
| SMILES | CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)CN(CC)CC |
| InChIKey | ASUQYYGSMJTBQI-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester
Property Insights of Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester
The XLogP value of 5.2 indicates that Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester?
The CAS number of Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester is 78329-96-1.
What is the molecular formula of Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester?
The molecular formula of Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester is C23H40N2O2.
What is the molecular weight of Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester?
The molecular weight of Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester is 376.309 g/mol.
Where can I buy Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester?
You can request a quote for Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-(diethylaminomethyl)-, 3-(dibutylamino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.