IFLab1_001998
TL;DR: IFLab1_001998 (CAS 325474-14-4) is a chemical compound with molecular formula C27H39FN2O2 and molecular weight 442.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
Also Known As: IFLab1_001998, AF-399/12854073, F0472-0160, 2,6-di-tert-butyl-4-((4-fluorophenyl)(4-(2-hydroxyethyl)piperazin-1-yl)methyl)phenol, 2,6-bis(tert-butyl)-4-{(4-fluorophenyl)[4-(2-hydroxyethyl)piperazinyl]methyl}p henol
| Molecular Formula | C27H39FN2O2 |
|---|---|
| Molecular Weight | 442.30 g/mol |
| LogP | 4.8256 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.29956 |
| Heavy Atoms | 32 |
| Complexity | 869.7292 |
Chemical Identifiers
| CAS Number | 325474-14-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)F)N3CCN(CC3)CCO |
Product Overview
IFLab1_001998 (CAS 325474-14-4), with molecular formula C27H39FN2O2 and molecular weight 442.30 g/mol. IUPAC: 2,6-ditert-butyl-4-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol.
Chemical Property Profile of IFLab1_001998
Property Insights of IFLab1_001998
The XLogP value of 4.8256 indicates that IFLab1_001998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, IFLab1_001998 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_001998 has 2 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 IFLab1_001998?
The CAS number of IFLab1_001998 is 325474-14-4.
What is the molecular formula of IFLab1_001998?
The molecular formula of IFLab1_001998 is C27H39FN2O2.
What is the molecular weight of IFLab1_001998?
The molecular weight of IFLab1_001998 is 442.30 g/mol.
Where can I buy IFLab1_001998?
You can request a quote for IFLab1_001998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001998?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.