CBKinase1_004322
TL;DR: CBKinase1_004322 (CAS 612523-76-9) is a chemical compound with molecular formula C20H17ClN6O and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]acetamide
Also Known As: CBKinase1_004322, CBKinase1_016722, BAS 06333521, UPCMLD0ENAT5751739:001, N-(4-{[1-(4-chlorobenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}phenyl)acetamide
| Molecular Formula | C20H17ClN6O |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 4.23 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.11523 |
| Heavy Atoms | 28 |
| Complexity | 1121.8671 |
Chemical Identifiers
| CAS Number | 612523-76-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)CC4=CC=C(C=C4)Cl |
Product Overview
CBKinase1_004322 (CAS 612523-76-9), with molecular formula C20H17ClN6O and molecular weight 392.12 g/mol. IUPAC: N-[4-[[1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]acetamide.
Chemical Property Profile of CBKinase1_004322
Property Insights of CBKinase1_004322
The XLogP value of 4.23 indicates that CBKinase1_004322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.73 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004322. Following Lipinski's Rule of Five, CBKinase1_004322 has 2 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 CBKinase1_004322?
The CAS number of CBKinase1_004322 is 612523-76-9.
What is the molecular formula of CBKinase1_004322?
The molecular formula of CBKinase1_004322 is C20H17ClN6O.
What is the molecular weight of CBKinase1_004322?
The molecular weight of CBKinase1_004322 is 392.12 g/mol.
Where can I buy CBKinase1_004322?
You can request a quote for CBKinase1_004322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004322?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.