ChemDiv1_014113
TL;DR: ChemDiv1_014113 (CAS 393846-27-0) is a chemical compound with molecular formula C25H26N6O and molecular weight 426.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone
Also Known As: ChemDiv1_014113, 1-(4-(4-(1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone, 1-(4-{4-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}phenyl)ethanone, 1-[4-[4-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone
| Molecular Formula | C25H26N6O |
|---|---|
| Molecular Weight | 426.22 g/mol |
| LogP | 3.96154 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.2168 |
| Heavy Atoms | 32 |
| Complexity | 1285.7886 |
Chemical Identifiers
| CAS Number | 393846-27-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C)C |
Product Overview
ChemDiv1_014113 (CAS 393846-27-0), with molecular formula C25H26N6O and molecular weight 426.22 g/mol. IUPAC: 1-[4-[4-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone.
Chemical Property Profile of ChemDiv1_014113
Property Insights of ChemDiv1_014113
The XLogP value of 3.96154 indicates that ChemDiv1_014113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014113. Following Lipinski's Rule of Five, ChemDiv1_014113 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_014113?
The CAS number of ChemDiv1_014113 is 393846-27-0.
What is the molecular formula of ChemDiv1_014113?
The molecular formula of ChemDiv1_014113 is C25H26N6O.
What is the molecular weight of ChemDiv1_014113?
The molecular weight of ChemDiv1_014113 is 426.22 g/mol.
Where can I buy ChemDiv1_014113?
You can request a quote for ChemDiv1_014113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014113?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.