ChemDiv1_014111
TL;DR: ChemDiv1_014111 (CAS 393846-03-2) is a chemical compound with molecular formula C22H21ClN6O and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
Also Known As: ChemDiv1_014111, BRD-K27605565-001-01-5, 1-(4-chlorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine, 1-(4-chlorophenyl)-4-(4-(4-methoxyphenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine, 1-(4-chlorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C22H21ClN6O |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 3.8041 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.14655 |
| Heavy Atoms | 30 |
| Complexity | 1150.6952 |
Chemical Identifiers
| CAS Number | 393846-03-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_014111 (CAS 393846-03-2), with molecular formula C22H21ClN6O and molecular weight 420.15 g/mol. IUPAC: 1-(4-chlorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of ChemDiv1_014111
Property Insights of ChemDiv1_014111
The XLogP value of 3.8041 indicates that ChemDiv1_014111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.31 Ų, ChemDiv1_014111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_014111 has 0 hydrogen bond donor(s) and 6 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_014111?
The CAS number of ChemDiv1_014111 is 393846-03-2.
What is the molecular formula of ChemDiv1_014111?
The molecular formula of ChemDiv1_014111 is C22H21ClN6O.
What is the molecular weight of ChemDiv1_014111?
The molecular weight of ChemDiv1_014111 is 420.15 g/mol.
Where can I buy ChemDiv1_014111?
You can request a quote for ChemDiv1_014111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014111?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.