AB00099545-01
TL;DR: AB00099545-01 (CAS 352660-04-9) is a chemical compound with molecular formula C22H23FN2O2 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
Also Known As: AB00099545-01, [4-(2-fluorophenyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone, [4-(2-fluorophenyl)piperazin-1-yl][4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methanone
| Molecular Formula | C22H23FN2O2 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 2.9105 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.17435 |
| Heavy Atoms | 27 |
| Complexity | 867.66626 |
Chemical Identifiers
| CAS Number | 352660-04-9 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)O |
Product Overview
AB00099545-01 (CAS 352660-04-9), with molecular formula C22H23FN2O2 and molecular weight 366.17 g/mol. IUPAC: [4-(2-fluorophenyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone.
Chemical Property Profile of AB00099545-01
Property Insights of AB00099545-01
The XLogP value of 2.9105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00099545-01. With a topological polar surface area (TPSA) of 43.78 Ų, AB00099545-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00099545-01 has 1 hydrogen bond donor(s) and 3 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 AB00099545-01?
The CAS number of AB00099545-01 is 352660-04-9.
What is the molecular formula of AB00099545-01?
The molecular formula of AB00099545-01 is C22H23FN2O2.
What is the molecular weight of AB00099545-01?
The molecular weight of AB00099545-01 is 366.17 g/mol.
Where can I buy AB00099545-01?
You can request a quote for AB00099545-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00099545-01?
Yes, KEHONG BIO provides custom synthesis services for AB00099545-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.