![ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate structure](/static/products/1008/1008961-50-9.webp)
ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate
TL;DR: ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate (CAS 1008961-50-9) is a chemical compound with molecular formula C21H31N3O4 and molecular weight 389.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(4-ethylbenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxylate
Also Known As: ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate, A3632/0154084, ethyl 4-[N-(4-ethylbenzoyl)valyl]-1-piperazinecarboxylate, ethyl 4-(2-(4-ethylbenzamido)-3-methylbutanoyl)piperazine-1-carboxylate, ethyl 4-[2-[(4-ethylbenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxylate
| Molecular Formula | C21H31N3O4 |
|---|---|
| Molecular Weight | 389.23 g/mol |
| LogP | 2.3041 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.23145 |
| Heavy Atoms | 28 |
| Complexity | 679.39606 |
Chemical Identifiers
| CAS Number | 1008961-50-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C(=O)OCC |
Product Overview
ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate (CAS 1008961-50-9), with molecular formula C21H31N3O4 and molecular weight 389.23 g/mol. IUPAC: ethyl 4-[2-[(4-ethylbenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate
Property Insights of ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate
The XLogP value of 2.3041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate has 1 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 ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate?
The CAS number of ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate is 1008961-50-9.
What is the molecular formula of ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate?
The molecular formula of ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate is C21H31N3O4.
What is the molecular weight of ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate?
The molecular weight of ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate is 389.23 g/mol.
Where can I buy ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate?
You can request a quote for ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{N-[(4-ethylphenyl)carbonyl]valyl}piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.