ChemDiv1_014193
TL;DR: ChemDiv1_014193 (CAS 393845-78-8) is a chemical compound with molecular formula C21H18ClFN6 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
Also Known As: ChemDiv1_014193, BRD-K67341536-001-01-4, 1-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine, 1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorophenyl)piperazine, 1-(4-chlorophenyl)-4-(4-(2-fluorophenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C21H18ClFN6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.9346 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.12656 |
| Heavy Atoms | 29 |
| Complexity | 1151.525 |
Chemical Identifiers
| CAS Number | 393845-78-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2F)C3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_014193 (CAS 393845-78-8), with molecular formula C21H18ClFN6 and molecular weight 408.13 g/mol. IUPAC: 1-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of ChemDiv1_014193
Property Insights of ChemDiv1_014193
The XLogP value of 3.9346 indicates that ChemDiv1_014193 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.08 Ų, ChemDiv1_014193 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_014193 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 ChemDiv1_014193?
The CAS number of ChemDiv1_014193 is 393845-78-8.
What is the molecular formula of ChemDiv1_014193?
The molecular formula of ChemDiv1_014193 is C21H18ClFN6.
What is the molecular weight of ChemDiv1_014193?
The molecular weight of ChemDiv1_014193 is 408.13 g/mol.
Where can I buy ChemDiv1_014193?
You can request a quote for ChemDiv1_014193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014193?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.