9X-0254
TL;DR: 9X-0254 (CAS 866149-66-8) is a chemical compound with molecular formula C23H22ClF3N4O and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1-methylpyrrol-3-yl]-phenylmethanone
Also Known As: 9X-0254, [5-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methyl)-1-methyl-1H-pyrrol-3-yl](phenyl)methanone, [5-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1-methylpyrrol-3-yl]-phenylmethanone, 1-[(4-benzoyl-1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine
| Molecular Formula | C23H22ClF3N4O |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 4.6455 |
| Topological Polar Surface Area | 41.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.14343 |
| Heavy Atoms | 32 |
| Complexity | 1106.1744 |
Chemical Identifiers
| CAS Number | 866149-66-8 |
|---|---|
| SMILES | CN1C=C(C=C1CN2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C(=O)C4=CC=CC=C4 |
Product Overview
9X-0254 (CAS 866149-66-8), with molecular formula C23H22ClF3N4O and molecular weight 462.14 g/mol. IUPAC: [5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1-methylpyrrol-3-yl]-phenylmethanone.
Chemical Property Profile of 9X-0254
Property Insights of 9X-0254
The XLogP value of 4.6455 indicates that 9X-0254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.37 Ų, 9X-0254 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9X-0254 has 0 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 9X-0254?
The CAS number of 9X-0254 is 866149-66-8.
What is the molecular formula of 9X-0254?
The molecular formula of 9X-0254 is C23H22ClF3N4O.
What is the molecular weight of 9X-0254?
The molecular weight of 9X-0254 is 462.14 g/mol.
Where can I buy 9X-0254?
You can request a quote for 9X-0254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9X-0254?
Yes, KEHONG BIO provides custom synthesis services for 9X-0254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.