CBKinase1_004287
TL;DR: CBKinase1_004287 (CAS 499124-53-7) is a chemical compound with molecular formula C24H22N4O3S and molecular weight 446.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_004287, CBKinase1_016687, BRD-K13247769-001-01-6, 1-(2,5-dimethoxyphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(2,5-dimethoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C24H22N4O3S |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | 4.62992 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.14127 |
| Heavy Atoms | 32 |
| Complexity | 1223.9902 |
Chemical Identifiers
| CAS Number | 499124-53-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(C=CC(=C3)OC)OC)C4=CC=NC=C4 |
Product Overview
CBKinase1_004287 (CAS 499124-53-7), with molecular formula C24H22N4O3S and molecular weight 446.14 g/mol. IUPAC: 1-(2,5-dimethoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_004287
Property Insights of CBKinase1_004287
The XLogP value of 4.62992 indicates that CBKinase1_004287 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004287. Following Lipinski's Rule of Five, CBKinase1_004287 has 0 hydrogen bond donor(s) and 7 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_004287?
The CAS number of CBKinase1_004287 is 499124-53-7.
What is the molecular formula of CBKinase1_004287?
The molecular formula of CBKinase1_004287 is C24H22N4O3S.
What is the molecular weight of CBKinase1_004287?
The molecular weight of CBKinase1_004287 is 446.14 g/mol.
Where can I buy CBKinase1_004287?
You can request a quote for CBKinase1_004287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004287?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.