Butyl 4-dimethylaminobenzoate
TL;DR: Butyl 4-dimethylaminobenzoate (CAS 57754-81-1) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(dimethylamino)benzoate
Also Known As: butyl 4-(dimethylamino)benzoate, Butyl 4-dimethylaminobenzoate, butyl 4-n,n-dimethylaminobenzoate, butyl p-n,n-dimethylaminobenzoate, 4-(Dimethylamino)benzoic acid butyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 57754-81-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N(C)C |
| InChIKey | FOYJYXHISWUSDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 4-dimethylaminobenzoate (CAS 57754-81-1), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: butyl 4-(dimethylamino)benzoate.
Chemical Property Profile of Butyl 4-dimethylaminobenzoate
Property Insights of Butyl 4-dimethylaminobenzoate
The XLogP value of 4.0 indicates that Butyl 4-dimethylaminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Butyl 4-dimethylaminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-dimethylaminobenzoate has 0 hydrogen bond donor(s) and 3 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 Butyl 4-dimethylaminobenzoate?
The CAS number of Butyl 4-dimethylaminobenzoate is 57754-81-1.
What is the molecular formula of Butyl 4-dimethylaminobenzoate?
The molecular formula of Butyl 4-dimethylaminobenzoate is C13H19NO2.
What is the molecular weight of Butyl 4-dimethylaminobenzoate?
The molecular weight of Butyl 4-dimethylaminobenzoate is 221.14 g/mol.
Where can I buy Butyl 4-dimethylaminobenzoate?
You can request a quote for Butyl 4-dimethylaminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-dimethylaminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-dimethylaminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.