CBKinase1_008874
TL;DR: CBKinase1_008874 (CAS 522639-44-7) is a chemical compound with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_008874, CBKinase1_021274, BRD-K36439761-001-01-0, N-(3,5-dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,5-dimethoxyphenyl)-2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))acet amide
| Molecular Formula | C18H19N5O3S |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 2.6251 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.12085 |
| Heavy Atoms | 27 |
| Complexity | 907.75146 |
Chemical Identifiers
| CAS Number | 522639-44-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)OC)OC)C3=CC=NC=C3 |
Product Overview
CBKinase1_008874 (CAS 522639-44-7), with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol. IUPAC: N-(3,5-dimethoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008874
Property Insights of CBKinase1_008874
The XLogP value of 2.6251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_008874. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008874. Following Lipinski's Rule of Five, CBKinase1_008874 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_008874?
The CAS number of CBKinase1_008874 is 522639-44-7.
What is the molecular formula of CBKinase1_008874?
The molecular formula of CBKinase1_008874 is C18H19N5O3S.
What is the molecular weight of CBKinase1_008874?
The molecular weight of CBKinase1_008874 is 385.12 g/mol.
Where can I buy CBKinase1_008874?
You can request a quote for CBKinase1_008874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008874?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.