![Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate structure](/static/products/3028/302822-13-5.webp)
Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate
TL;DR: Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate (CAS 302822-13-5) is a chemical compound with molecular formula C18H25Cl3N2O3 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2,2,2-trichloro-1-(2,2-dimethylpropanoylamino)ethyl]amino]benzoate
Also Known As: butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate, BUTYL 4-((2,2,2-TRICHLORO-1-((2,2-DIMETHYLPROPANOYL)AMINO)ETHYL)AMINO)BENZOATE, butyl 4-({2,2,2-trichloro-1-[(2,2-dimethylpropanoyl)amino]ethyl}amino)benzoate, butyl 4-[[2,2,2-trichloro-1-(2,2-dimethylpropanoylamino)ethyl]amino]benzoate
| Molecular Formula | C18H25Cl3N2O3 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.914 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.09308 |
| Heavy Atoms | 26 |
| Complexity | 607.5927 |
Chemical Identifiers
| CAS Number | 302822-13-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C |
Product Overview
Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate (CAS 302822-13-5), with molecular formula C18H25Cl3N2O3 and molecular weight 422.09 g/mol. IUPAC: butyl 4-[[2,2,2-trichloro-1-(2,2-dimethylpropanoylamino)ethyl]amino]benzoate.
Chemical Property Profile of Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate
Property Insights of Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate
The XLogP value of 4.914 indicates that Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate. Following Lipinski's Rule of Five, Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate has 2 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 Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate?
The CAS number of Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate is 302822-13-5.
What is the molecular formula of Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate?
The molecular formula of Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate is C18H25Cl3N2O3.
What is the molecular weight of Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate?
The molecular weight of Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate is 422.09 g/mol.
Where can I buy Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate?
You can request a quote for Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-{[2,2,2-trichloro-1-(2,2-dimethylpropanamido)ethyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.