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Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate
TL;DR: Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate (CAS 428852-01-1) is a chemical compound with molecular formula C18H27N3O5 and molecular weight 365.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperazine-1-carboxylate
Also Known As: BAS 03086631, AB00110172-01, AT-057/43314122, ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate, ETHYL 4-{2-[(3,5-DIMETHOXYPHENYL)CARBAMOYL]ETHYL}PIPERAZINE-1-CARBOXYLATE
| Molecular Formula | C18H27N3O5 |
|---|---|
| Molecular Weight | 365.20 g/mol |
| LogP | 1.8065 |
| Topological Polar Surface Area | 80.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.19507 |
| Heavy Atoms | 26 |
| Complexity | 592.5942 |
Chemical Identifiers
| CAS Number | 428852-01-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=CC(=C2)OC)OC |
Product Overview
Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate (CAS 428852-01-1), with molecular formula C18H27N3O5 and molecular weight 365.20 g/mol. IUPAC: ethyl 4-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate
Property Insights of Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate
The XLogP value of 1.8065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate. The TPSA of 80.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 6 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-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate?
The CAS number of Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate is 428852-01-1.
What is the molecular formula of Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate?
The molecular formula of Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate is C18H27N3O5.
What is the molecular weight of Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate?
The molecular weight of Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate is 365.20 g/mol.
Where can I buy Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate?
You can request a quote for Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}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-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{3-[(3,5-dimethoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.