CBKinase1_005586
TL;DR: CBKinase1_005586 (CAS 701228-12-8) is a chemical compound with molecular formula C19H20N6O2S and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_005586, CBKinase1_017986, BAS 09537975, BRD-K75921922-001-01-5, N-(4-acetamidophenyl)-2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C19H20N6O2S |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 2.7535 |
| Topological Polar Surface Area | 114.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.13684 |
| Heavy Atoms | 28 |
| Complexity | 982.6634 |
Chemical Identifiers
| CAS Number | 701228-12-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)N |
Product Overview
CBKinase1_005586 (CAS 701228-12-8), with molecular formula C19H20N6O2S and molecular weight 396.14 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_005586
Property Insights of CBKinase1_005586
The XLogP value of 2.7535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005586. The TPSA of 114.93 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005586. Following Lipinski's Rule of Five, CBKinase1_005586 has 3 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_005586?
The CAS number of CBKinase1_005586 is 701228-12-8.
What is the molecular formula of CBKinase1_005586?
The molecular formula of CBKinase1_005586 is C19H20N6O2S.
What is the molecular weight of CBKinase1_005586?
The molecular weight of CBKinase1_005586 is 396.14 g/mol.
Where can I buy CBKinase1_005586?
You can request a quote for CBKinase1_005586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005586?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.