ChemDiv1_014195
TL;DR: ChemDiv1_014195 (CAS 393845-89-1) is a chemical compound with molecular formula C22H21N7O3 and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
Also Known As: ChemDiv1_014195, 1-(4-methoxyphenyl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine, 1-(4-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine, 1-(4-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C22H21N7O3 |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 3.0589 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.1706 |
| Heavy Atoms | 32 |
| Complexity | 1247.0109 |
Chemical Identifiers
| CAS Number | 393845-89-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
ChemDiv1_014195 (CAS 393845-89-1), with molecular formula C22H21N7O3 and molecular weight 431.17 g/mol. IUPAC: 1-(4-methoxyphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of ChemDiv1_014195
Property Insights of ChemDiv1_014195
The XLogP value of 3.0589 indicates that ChemDiv1_014195 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014195. Following Lipinski's Rule of Five, ChemDiv1_014195 has 0 hydrogen bond donor(s) and 8 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_014195?
The CAS number of ChemDiv1_014195 is 393845-89-1.
What is the molecular formula of ChemDiv1_014195?
The molecular formula of ChemDiv1_014195 is C22H21N7O3.
What is the molecular weight of ChemDiv1_014195?
The molecular weight of ChemDiv1_014195 is 431.17 g/mol.
Where can I buy ChemDiv1_014195?
You can request a quote for ChemDiv1_014195 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014195?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014195 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.