CBKinase1_004180
TL;DR: CBKinase1_004180 (CAS 612523-79-2) is a chemical compound with molecular formula C18H21ClN6O and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: CBKinase1_004180, CBKinase1_016580, BAS 06333524, AF-399/41980364, BRD-K31105780-001-01-9
| Molecular Formula | C18H21ClN6O |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | 2.2721 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.14655 |
| Heavy Atoms | 26 |
| Complexity | 859.7488 |
Chemical Identifiers
| CAS Number | 612523-79-2 |
|---|---|
| SMILES | C1COCCN1CCNC2=C3C=NN(C3=NC=N2)CC4=CC=C(C=C4)Cl |
Product Overview
CBKinase1_004180 (CAS 612523-79-2), with molecular formula C18H21ClN6O and molecular weight 372.15 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of CBKinase1_004180
Property Insights of CBKinase1_004180
The XLogP value of 2.2721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004180. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004180. Following Lipinski's Rule of Five, CBKinase1_004180 has 1 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 CBKinase1_004180?
The CAS number of CBKinase1_004180 is 612523-79-2.
What is the molecular formula of CBKinase1_004180?
The molecular formula of CBKinase1_004180 is C18H21ClN6O.
What is the molecular weight of CBKinase1_004180?
The molecular weight of CBKinase1_004180 is 372.15 g/mol.
Where can I buy CBKinase1_004180?
You can request a quote for CBKinase1_004180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004180?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.