tert-Butyl p-(dimethylamino)benzoate
TL;DR: tert-Butyl p-(dimethylamino)benzoate (CAS 75784-65-5) 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.
tert-butyl 4-(dimethylamino)benzoate
Also Known As: tert-Butyl p-(dimethylamino)benzoate, tert-butyl 4-(dimethylamino)benzoate, EINECS 278-310-2, tert-butyl 4-dimethylaminobenzoate, 1,1-Dimethylethyl 4-(dimethylamino)benzoate
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.7079 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 360.51413 |
Chemical Identifiers
| CAS Number | 75784-65-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=C(C=C1)N(C)C |
Product Overview
tert-Butyl p-(dimethylamino)benzoate (CAS 75784-65-5), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: tert-butyl 4-(dimethylamino)benzoate.
Chemical Property Profile of tert-Butyl p-(dimethylamino)benzoate
Property Insights of tert-Butyl p-(dimethylamino)benzoate
The XLogP value of 2.7079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl p-(dimethylamino)benzoate. With a topological polar surface area (TPSA) of 29.54 Ų, tert-Butyl p-(dimethylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl p-(dimethylamino)benzoate 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 tert-Butyl p-(dimethylamino)benzoate?
The CAS number of tert-Butyl p-(dimethylamino)benzoate is 75784-65-5.
What is the molecular formula of tert-Butyl p-(dimethylamino)benzoate?
The molecular formula of tert-Butyl p-(dimethylamino)benzoate is C13H19NO2.
What is the molecular weight of tert-Butyl p-(dimethylamino)benzoate?
The molecular weight of tert-Butyl p-(dimethylamino)benzoate is 221.14 g/mol.
Where can I buy tert-Butyl p-(dimethylamino)benzoate?
You can request a quote for tert-Butyl p-(dimethylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl p-(dimethylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl p-(dimethylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.