AF-399/12854047
TL;DR: AF-399/12854047 (CAS 305372-77-4) is a chemical compound with molecular formula C27H39ClN2O2 and molecular weight 458.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[(4-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
Also Known As: AF-399/12854047, 2,6-di-tert-butyl-4-[(4-chlorophenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol, 2,6-ditert-butyl-4-[(4-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol, 2,6-bis(tert-butyl)-4-{(4-chlorophenyl)[4-(2-hydroxyethyl)piperazinyl]methyl}p henol, 2,6-ditert-butyl-4-{(4-chlorophenyl)[4-(2-hydroxyethyl)-1-piperazinyl]methyl}phenol
| Molecular Formula | C27H39ClN2O2 |
|---|---|
| Molecular Weight | 458.27 g/mol |
| LogP | 5.3399 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.27002 |
| Heavy Atoms | 32 |
| Complexity | 869.7292 |
Chemical Identifiers
| CAS Number | 305372-77-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)CCO |
Product Overview
AF-399/12854047 (CAS 305372-77-4), with molecular formula C27H39ClN2O2 and molecular weight 458.27 g/mol. IUPAC: 2,6-ditert-butyl-4-[(4-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol.
Chemical Property Profile of AF-399/12854047
Property Insights of AF-399/12854047
The XLogP value of 5.3399 indicates that AF-399/12854047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, AF-399/12854047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/12854047 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/12854047?
The CAS number of AF-399/12854047 is 305372-77-4.
What is the molecular formula of AF-399/12854047?
The molecular formula of AF-399/12854047 is C27H39ClN2O2.
What is the molecular weight of AF-399/12854047?
The molecular weight of AF-399/12854047 is 458.27 g/mol.
Where can I buy AF-399/12854047?
You can request a quote for AF-399/12854047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/12854047?
Yes, KEHONG BIO provides custom synthesis services for AF-399/12854047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.