AF-399/15128681
TL;DR: AF-399/15128681 (CAS 439131-18-7) is a chemical compound with molecular formula C21H34N2O4 and molecular weight 378.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(2-tert-butyl-4-methylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
Also Known As: AF-399/15128681, ethyl 4-[3-(2-tert-butyl-4-methylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate, ethyl 4-(3-(2-(tert-butyl)-4-methylphenoxy)-2-hydroxypropyl)piperazine-1-carboxylate, ethyl 4-[3-(2-tert-butyl-4-methylphenoxy)-2-hydroxypropyl]-1-piperazinecarboxylate
| Molecular Formula | C21H34N2O4 |
|---|---|
| Molecular Weight | 378.25 g/mol |
| LogP | 2.80632 |
| Topological Polar Surface Area | 62.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.25186 |
| Heavy Atoms | 27 |
| Complexity | 619.0979 |
Chemical Identifiers
| CAS Number | 439131-18-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(COC2=C(C=C(C=C2)C)C(C)(C)C)O |
Product Overview
AF-399/15128681 (CAS 439131-18-7), with molecular formula C21H34N2O4 and molecular weight 378.25 g/mol. IUPAC: ethyl 4-[3-(2-tert-butyl-4-methylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate.
Chemical Property Profile of AF-399/15128681
Property Insights of AF-399/15128681
The XLogP value of 2.80632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/15128681. The TPSA of 62.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15128681. Following Lipinski's Rule of Five, AF-399/15128681 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 AF-399/15128681?
The CAS number of AF-399/15128681 is 439131-18-7.
What is the molecular formula of AF-399/15128681?
The molecular formula of AF-399/15128681 is C21H34N2O4.
What is the molecular weight of AF-399/15128681?
The molecular weight of AF-399/15128681 is 378.25 g/mol.
Where can I buy AF-399/15128681?
You can request a quote for AF-399/15128681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15128681?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15128681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.