CBKinase1_007072
TL;DR: CBKinase1_007072 (CAS 708242-98-2) is a chemical compound with molecular formula C20H18N6O3S2 and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethoxy-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
Also Known As: CBKinase1_007072, CBKinase1_019472, AP-970/42784097, BRD-K18463455-001-01-3, 2,6-dimethoxy-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
| Molecular Formula | C20H18N6O3S2 |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 3.30522 |
| Topological Polar Surface Area | 102.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.0882 |
| Heavy Atoms | 31 |
| Complexity | 1260.9049 |
Chemical Identifiers
| CAS Number | 708242-98-2 |
|---|---|
| SMILES | CC1=NN=C2N1N=C(S2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC |
Product Overview
CBKinase1_007072 (CAS 708242-98-2), with molecular formula C20H18N6O3S2 and molecular weight 454.09 g/mol. IUPAC: 2,6-dimethoxy-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of CBKinase1_007072
Property Insights of CBKinase1_007072
The XLogP value of 3.30522 indicates that CBKinase1_007072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.67 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007072. Following Lipinski's Rule of Five, CBKinase1_007072 has 2 hydrogen bond donor(s) and 8 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_007072?
The CAS number of CBKinase1_007072 is 708242-98-2.
What is the molecular formula of CBKinase1_007072?
The molecular formula of CBKinase1_007072 is C20H18N6O3S2.
What is the molecular weight of CBKinase1_007072?
The molecular weight of CBKinase1_007072 is 454.09 g/mol.
Where can I buy CBKinase1_007072?
You can request a quote for CBKinase1_007072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007072?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.