ChemDiv1_014190
TL;DR: ChemDiv1_014190 (CAS 393845-16-4) is a chemical compound with molecular formula C21H25ClN6O and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
Also Known As: ChemDiv1_014190, AF-399/41533935, 1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, BRD-A90964520-001-07-1, 1-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
| Molecular Formula | C21H25ClN6O |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 3.5537 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.17783 |
| Heavy Atoms | 29 |
| Complexity | 998.0789 |
Chemical Identifiers
| CAS Number | 393845-16-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1CCCN(C1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_014190 (CAS 393845-16-4), with molecular formula C21H25ClN6O and molecular weight 412.18 g/mol. IUPAC: 1-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide.
Chemical Property Profile of ChemDiv1_014190
Property Insights of ChemDiv1_014190
The XLogP value of 3.5537 indicates that ChemDiv1_014190 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_014190. Following Lipinski's Rule of Five, ChemDiv1_014190 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_014190?
The CAS number of ChemDiv1_014190 is 393845-16-4.
What is the molecular formula of ChemDiv1_014190?
The molecular formula of ChemDiv1_014190 is C21H25ClN6O.
What is the molecular weight of ChemDiv1_014190?
The molecular weight of ChemDiv1_014190 is 412.18 g/mol.
Where can I buy ChemDiv1_014190?
You can request a quote for ChemDiv1_014190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014190?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.