CBKinase1_008354
TL;DR: CBKinase1_008354 (CAS 710982-74-4) 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-(3-chloro-2-methylphenyl)-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_008354, CBKinase1_020754, BRD-K65000015-001-01-8, N-(3-chloro-2-methylphenyl)-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-2-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}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 | 710982-74-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)Cl |
Product Overview
CBKinase1_008354 (CAS 710982-74-4), with molecular formula C18H16Cl2N4OS and molecular weight 406.04 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008354
Property Insights of CBKinase1_008354
The XLogP value of 4.82812 indicates that CBKinase1_008354 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_008354 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_008354 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_008354?
The CAS number of CBKinase1_008354 is 710982-74-4.
What is the molecular formula of CBKinase1_008354?
The molecular formula of CBKinase1_008354 is C18H16Cl2N4OS.
What is the molecular weight of CBKinase1_008354?
The molecular weight of CBKinase1_008354 is 406.04 g/mol.
Where can I buy CBKinase1_008354?
You can request a quote for CBKinase1_008354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008354?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.