AB00098921-01
TL;DR: AB00098921-01 (CAS 5842-58-0) is a chemical compound with molecular formula C20H21F2N3O3 and molecular weight 389.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-fluoro-4-[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]-2-methylphenyl]ethanone
Also Known As: AB00098921-01, 1-{5-Fluoro-4-[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]-2-methylphenyl}ethan-1-one, 1-[5-fluoro-4-[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]-2-methylphenyl]ethanone, 1-{5-fluoro-4-[4-(2-fluoro-5-methyl-4-nitrophenyl)-1-piperazinyl]-2-methylphenyl}ethanone
| Molecular Formula | C20H21F2N3O3 |
|---|---|
| Molecular Weight | 389.16 g/mol |
| LogP | 4.01904 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1551 |
| Heavy Atoms | 28 |
| Complexity | 876.69745 |
Chemical Identifiers
| CAS Number | 5842-58-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C3=C(C=C(C(=C3)C)[N+](=O)[O-])F |
Product Overview
AB00098921-01 (CAS 5842-58-0), with molecular formula C20H21F2N3O3 and molecular weight 389.16 g/mol. IUPAC: 1-[5-fluoro-4-[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]-2-methylphenyl]ethanone.
Chemical Property Profile of AB00098921-01
Property Insights of AB00098921-01
The XLogP value of 4.01904 indicates that AB00098921-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00098921-01. Following Lipinski's Rule of Five, AB00098921-01 has 0 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 AB00098921-01?
The CAS number of AB00098921-01 is 5842-58-0.
What is the molecular formula of AB00098921-01?
The molecular formula of AB00098921-01 is C20H21F2N3O3.
What is the molecular weight of AB00098921-01?
The molecular weight of AB00098921-01 is 389.16 g/mol.
Where can I buy AB00098921-01?
You can request a quote for AB00098921-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098921-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098921-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.