CBKinase1_003233
TL;DR: CBKinase1_003233 (CAS 693266-11-4) is a chemical compound with molecular formula C18H15Cl2N5O3S and molecular weight 451.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide
Also Known As: CBKinase1_003233, CBKinase1_015633, BRD-K33129608-001-01-7, 2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide, 2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-nitrophenyl)acetamide
| Molecular Formula | C18H15Cl2N5O3S |
|---|---|
| Molecular Weight | 451.03 g/mol |
| LogP | 4.73632 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.02725 |
| Heavy Atoms | 29 |
| Complexity | 1103.0958 |
Chemical Identifiers
| CAS Number | 693266-11-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
CBKinase1_003233 (CAS 693266-11-4), with molecular formula C18H15Cl2N5O3S and molecular weight 451.03 g/mol. IUPAC: 2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide.
Chemical Property Profile of CBKinase1_003233
Property Insights of CBKinase1_003233
The XLogP value of 4.73632 indicates that CBKinase1_003233 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003233. Following Lipinski's Rule of Five, CBKinase1_003233 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_003233?
The CAS number of CBKinase1_003233 is 693266-11-4.
What is the molecular formula of CBKinase1_003233?
The molecular formula of CBKinase1_003233 is C18H15Cl2N5O3S.
What is the molecular weight of CBKinase1_003233?
The molecular weight of CBKinase1_003233 is 451.03 g/mol.
Where can I buy CBKinase1_003233?
You can request a quote for CBKinase1_003233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003233?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.