CBKinase1_004087
TL;DR: CBKinase1_004087 (CAS 669697-10-3) 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.
N-(2,4-dichlorophenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_004087, CBKinase1_016487, BRD-K65765529-001-01-5, N-(2,4-dichlorophenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,4-dichlorophenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C18H16Cl2N4OS |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 4.92174 |
| 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 | 940.8642 |
Chemical Identifiers
| CAS Number | 669697-10-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)C |
Product Overview
CBKinase1_004087 (CAS 669697-10-3), with molecular formula C18H16Cl2N4OS and molecular weight 406.04 g/mol. IUPAC: N-(2,4-dichlorophenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004087
Property Insights of CBKinase1_004087
The XLogP value of 4.92174 indicates that CBKinase1_004087 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_004087 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004087 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_004087?
The CAS number of CBKinase1_004087 is 669697-10-3.
What is the molecular formula of CBKinase1_004087?
The molecular formula of CBKinase1_004087 is C18H16Cl2N4OS.
What is the molecular weight of CBKinase1_004087?
The molecular weight of CBKinase1_004087 is 406.04 g/mol.
Where can I buy CBKinase1_004087?
You can request a quote for CBKinase1_004087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004087?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.