CBKinase1_004058
TL;DR: CBKinase1_004058 (CAS 499124-57-1) is a chemical compound with molecular formula C24H23N5O3S and molecular weight 461.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_004058, CBKinase1_016458, BRD-K10092641-001-01-3, N-(3,5-dimethoxyphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,5-dimethoxyphenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C24H23N5O3S |
|---|---|
| Molecular Weight | 461.15 g/mol |
| LogP | 4.38572 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.15216 |
| Heavy Atoms | 33 |
| Complexity | 1220.7067 |
Chemical Identifiers
| CAS Number | 499124-57-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC(=C3)OC)OC)C4=CC=NC=C4 |
Product Overview
CBKinase1_004058 (CAS 499124-57-1), with molecular formula C24H23N5O3S and molecular weight 461.15 g/mol. IUPAC: N-(3,5-dimethoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004058
Property Insights of CBKinase1_004058
The XLogP value of 4.38572 indicates that CBKinase1_004058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004058. Following Lipinski's Rule of Five, CBKinase1_004058 has 1 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_004058?
The CAS number of CBKinase1_004058 is 499124-57-1.
What is the molecular formula of CBKinase1_004058?
The molecular formula of CBKinase1_004058 is C24H23N5O3S.
What is the molecular weight of CBKinase1_004058?
The molecular weight of CBKinase1_004058 is 461.15 g/mol.
Where can I buy CBKinase1_004058?
You can request a quote for CBKinase1_004058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004058?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.