IFLab1_004087
TL;DR: IFLab1_004087 (CAS 439130-77-5) is a chemical compound with molecular formula C20H32N2O4 and molecular weight 364.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate
Also Known As: IFLab1_004087, AF-399/15128671, ethyl 4-[2-hydroxy-3-(2-isopropyl-5-methylphenoxy)propyl]-1-piperazinecarboxylate, ethyl 4-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate, ethyl 4-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)propyl)piperazine-1-carboxylate
| Molecular Formula | C20H32N2O4 |
|---|---|
| Molecular Weight | 364.24 g/mol |
| LogP | 2.63222 |
| Topological Polar Surface Area | 62.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.2362 |
| Heavy Atoms | 26 |
| Complexity | 583.17395 |
Chemical Identifiers
| CAS Number | 439130-77-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(COC2=C(C=CC(=C2)C)C(C)C)O |
Product Overview
IFLab1_004087 (CAS 439130-77-5), with molecular formula C20H32N2O4 and molecular weight 364.24 g/mol. IUPAC: ethyl 4-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate.
Chemical Property Profile of IFLab1_004087
Property Insights of IFLab1_004087
The XLogP value of 2.63222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004087. The TPSA of 62.24 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004087. Following Lipinski's Rule of Five, IFLab1_004087 has 1 hydrogen bond donor(s) and 5 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 IFLab1_004087?
The CAS number of IFLab1_004087 is 439130-77-5.
What is the molecular formula of IFLab1_004087?
The molecular formula of IFLab1_004087 is C20H32N2O4.
What is the molecular weight of IFLab1_004087?
The molecular weight of IFLab1_004087 is 364.24 g/mol.
Where can I buy IFLab1_004087?
You can request a quote for IFLab1_004087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004087?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.