CBKinase1_004981
TL;DR: CBKinase1_004981 (CAS 690960-20-4) is a chemical compound with molecular formula C19H13ClFN5O2S and molecular weight 429.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Also Known As: CBKinase1_004981, CBKinase1_017381, VU0618178-1, F3394-0581, BRD-K01926743-001-01-0
| Molecular Formula | C19H13ClFN5O2S |
|---|---|
| Molecular Weight | 429.05 g/mol |
| LogP | 3.6321 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.04626 |
| Heavy Atoms | 29 |
| Complexity | 1258.6821 |
Chemical Identifiers
| CAS Number | 690960-20-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl |
Product Overview
CBKinase1_004981 (CAS 690960-20-4), with molecular formula C19H13ClFN5O2S and molecular weight 429.05 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004981
Property Insights of CBKinase1_004981
The XLogP value of 3.6321 indicates that CBKinase1_004981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.67 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004981. Following Lipinski's Rule of Five, CBKinase1_004981 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_004981?
The CAS number of CBKinase1_004981 is 690960-20-4.
What is the molecular formula of CBKinase1_004981?
The molecular formula of CBKinase1_004981 is C19H13ClFN5O2S.
What is the molecular weight of CBKinase1_004981?
The molecular weight of CBKinase1_004981 is 429.05 g/mol.
Where can I buy CBKinase1_004981?
You can request a quote for CBKinase1_004981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004981?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.