CBKinase1_004753
TL;DR: CBKinase1_004753 (CAS 615282-62-7) is a chemical compound with molecular formula C18H14F3N3O2S2 and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_004753, CBKinase1_017153, IFLab1_005642, IDI1_011045, BRD-K85190911-001-01-8
| Molecular Formula | C18H14F3N3O2S2 |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | 4.2229 |
| Topological Polar Surface Area | 74.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.04794 |
| Heavy Atoms | 28 |
| Complexity | 1121.4418 |
Chemical Identifiers
| CAS Number | 615282-62-7 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC(=O)NC4=CC=CC=C4C(F)(F)F |
Product Overview
CBKinase1_004753 (CAS 615282-62-7), with molecular formula C18H14F3N3O2S2 and molecular weight 425.05 g/mol. IUPAC: 2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_004753
Property Insights of CBKinase1_004753
The XLogP value of 4.2229 indicates that CBKinase1_004753 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.85 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004753. Following Lipinski's Rule of Five, CBKinase1_004753 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_004753?
The CAS number of CBKinase1_004753 is 615282-62-7.
What is the molecular formula of CBKinase1_004753?
The molecular formula of CBKinase1_004753 is C18H14F3N3O2S2.
What is the molecular weight of CBKinase1_004753?
The molecular weight of CBKinase1_004753 is 425.05 g/mol.
Where can I buy CBKinase1_004753?
You can request a quote for CBKinase1_004753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004753?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.