CBKinase1_004442
TL;DR: CBKinase1_004442 (CAS 713096-23-2) is a chemical compound with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide
Also Known As: CBKinase1_004442, CBKinase1_016842, BAS 07023838, BRD-K84455603-001-01-9, 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide
| Molecular Formula | C23H20N4O2S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 4.00712 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1307 |
| Heavy Atoms | 30 |
| Complexity | 1299.8739 |
Chemical Identifiers
| CAS Number | 713096-23-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC4=CC=CC=C4C=C3)N |
Product Overview
CBKinase1_004442 (CAS 713096-23-2), with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol. IUPAC: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide.
Chemical Property Profile of CBKinase1_004442
Property Insights of CBKinase1_004442
The XLogP value of 4.00712 indicates that CBKinase1_004442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004442. Following Lipinski's Rule of Five, CBKinase1_004442 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_004442?
The CAS number of CBKinase1_004442 is 713096-23-2.
What is the molecular formula of CBKinase1_004442?
The molecular formula of CBKinase1_004442 is C23H20N4O2S.
What is the molecular weight of CBKinase1_004442?
The molecular weight of CBKinase1_004442 is 416.13 g/mol.
Where can I buy CBKinase1_004442?
You can request a quote for CBKinase1_004442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004442?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.