![[4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate structure](/static/products/3390/339014-66-3.webp)
[4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate
TL;DR: [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate (CAS 339014-66-3) is a chemical compound with molecular formula C15H19ClN2O3 and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate
Also Known As: [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate|3-[(1,1-Dimethylethyl)amino]-1-methyl-3-oxo-1-propen-1-yl 2-amino-5-chlorobenzoate|4-(tert-Butylamino)-4-oxobut-2-en-2-yl 2-amino-5-chlorobenzoate
| Molecular Formula | C15H19ClN2O3 |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 2.8975 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.10843 |
| Heavy Atoms | 21 |
| Complexity | 589.0718 |
Chemical Identifiers
| CAS Number | 339014-66-3 |
|---|---|
| SMILES | CC(=CC(=O)NC(C)(C)C)OC(=O)C1=C(C=CC(=C1)Cl)N |
Product Overview
[4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate (CAS 339014-66-3), with molecular formula C15H19ClN2O3 and molecular weight 310.11 g/mol. IUPAC: [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate.
Chemical Property Profile of [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate
Property Insights of [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate
The XLogP value of 2.8975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate. Following Lipinski's Rule of Five, [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate 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 [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate?
The CAS number of [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate is 339014-66-3.
What is the molecular formula of [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate?
The molecular formula of [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate is C15H19ClN2O3.
What is the molecular weight of [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate?
The molecular weight of [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate is 310.11 g/mol.
Where can I buy [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate?
You can request a quote for [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-(tert-butylamino)-4-oxobut-2-en-2-yl] 2-amino-5-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.