CBKinase1_008199
TL;DR: CBKinase1_008199 (CAS 712333-90-9) is a chemical compound with molecular formula C18H16Cl2N4OS and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
Also Known As: CBKinase1_008199, CBKinase1_020599, BRD-K10176099-001-01-1, 2-[[5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide, 2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
| Molecular Formula | C18H16Cl2N4OS |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 4.82812 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.04218 |
| Heavy Atoms | 26 |
| Complexity | 958.1142 |
Chemical Identifiers
| CAS Number | 712333-90-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3Cl)Cl |
Product Overview
CBKinase1_008199 (CAS 712333-90-9), with molecular formula C18H16Cl2N4OS and molecular weight 406.04 g/mol. IUPAC: 2-[[5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide.
Chemical Property Profile of CBKinase1_008199
Property Insights of CBKinase1_008199
The XLogP value of 4.82812 indicates that CBKinase1_008199 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_008199 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_008199 has 1 hydrogen bond donor(s) and 4 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_008199?
The CAS number of CBKinase1_008199 is 712333-90-9.
What is the molecular formula of CBKinase1_008199?
The molecular formula of CBKinase1_008199 is C18H16Cl2N4OS.
What is the molecular weight of CBKinase1_008199?
The molecular weight of CBKinase1_008199 is 406.04 g/mol.
Where can I buy CBKinase1_008199?
You can request a quote for CBKinase1_008199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008199?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.