CBKinase1_012135
TL;DR: CBKinase1_012135 (CAS 696629-41-1) is a chemical compound with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-aminophenyl)-2-[[5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_012135, CBKinase1_024535, BRD-K54079091-001-01-2, A3415/0144858, 1-(2-aminophenyl)-2-[[5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C19H20N4O2S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 3.438 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.1307 |
| Heavy Atoms | 26 |
| Complexity | 906.15753 |
Chemical Identifiers
| CAS Number | 696629-41-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC=CC=C3N |
Product Overview
CBKinase1_012135 (CAS 696629-41-1), with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol. IUPAC: 1-(2-aminophenyl)-2-[[5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_012135
Property Insights of CBKinase1_012135
The XLogP value of 3.438 indicates that CBKinase1_012135 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012135. Following Lipinski's Rule of Five, CBKinase1_012135 has 1 hydrogen bond donor(s) and 6 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_012135?
The CAS number of CBKinase1_012135 is 696629-41-1.
What is the molecular formula of CBKinase1_012135?
The molecular formula of CBKinase1_012135 is C19H20N4O2S.
What is the molecular weight of CBKinase1_012135?
The molecular weight of CBKinase1_012135 is 368.13 g/mol.
Where can I buy CBKinase1_012135?
You can request a quote for CBKinase1_012135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012135?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.