CBKinase1_005440
TL;DR: CBKinase1_005440 (CAS 690960-23-7) is a chemical compound with molecular formula C16H13N5OS2 and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: CBKinase1_005440, CBKinase1_017840, VU0618179-1, BRD-K39373831-001-01-4, 6-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C16H13N5OS2 |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 3.16602 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.05615 |
| Heavy Atoms | 24 |
| Complexity | 1051.2133 |
Chemical Identifiers
| CAS Number | 690960-23-7 |
|---|---|
| SMILES | CC1=NC(=CS1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4 |
Product Overview
CBKinase1_005440 (CAS 690960-23-7), with molecular formula C16H13N5OS2 and molecular weight 355.06 g/mol. IUPAC: 6-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of CBKinase1_005440
Property Insights of CBKinase1_005440
The XLogP value of 3.16602 indicates that CBKinase1_005440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005440. Following Lipinski's Rule of Five, CBKinase1_005440 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_005440?
The CAS number of CBKinase1_005440 is 690960-23-7.
What is the molecular formula of CBKinase1_005440?
The molecular formula of CBKinase1_005440 is C16H13N5OS2.
What is the molecular weight of CBKinase1_005440?
The molecular weight of CBKinase1_005440 is 355.06 g/mol.
Where can I buy CBKinase1_005440?
You can request a quote for CBKinase1_005440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005440?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.