CBKinase1_002194
TL;DR: CBKinase1_002194 (CAS 693230-71-6) is a chemical compound with molecular formula C18H19N5OS and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: CBKinase1_002194, CBKinase1_014594, BRD-K50469124-001-01-0, 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide, 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
| Molecular Formula | C18H19N5OS |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.10352 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.13104 |
| Heavy Atoms | 25 |
| Complexity | 888.737 |
Chemical Identifiers
| CAS Number | 693230-71-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)N |
Product Overview
CBKinase1_002194 (CAS 693230-71-6), with molecular formula C18H19N5OS and molecular weight 353.13 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_002194
Property Insights of CBKinase1_002194
The XLogP value of 3.10352 indicates that CBKinase1_002194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002194. Following Lipinski's Rule of Five, CBKinase1_002194 has 2 hydrogen bond donor(s) and 5 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_002194?
The CAS number of CBKinase1_002194 is 693230-71-6.
What is the molecular formula of CBKinase1_002194?
The molecular formula of CBKinase1_002194 is C18H19N5OS.
What is the molecular weight of CBKinase1_002194?
The molecular weight of CBKinase1_002194 is 353.13 g/mol.
Where can I buy CBKinase1_002194?
You can request a quote for CBKinase1_002194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002194?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.