CBKinase1_006464
TL;DR: CBKinase1_006464 (CAS 701280-54-8) is a chemical compound with molecular formula C24H21ClN4OS and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_006464, CBKinase1_018864, BRD-K32517282-001-01-7, N-(4-chloro-2-methylphenyl)-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chloro-2-methylphenyl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C24H21ClN4OS |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 5.93534 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.11246 |
| Heavy Atoms | 31 |
| Complexity | 1206.2438 |
Chemical Identifiers
| CAS Number | 701280-54-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)C)C4=CC=CC=C4 |
Product Overview
CBKinase1_006464 (CAS 701280-54-8), with molecular formula C24H21ClN4OS and molecular weight 448.11 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_006464
Property Insights of CBKinase1_006464
The XLogP value of 5.93534 indicates that CBKinase1_006464 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_006464 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_006464 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_006464?
The CAS number of CBKinase1_006464 is 701280-54-8.
What is the molecular formula of CBKinase1_006464?
The molecular formula of CBKinase1_006464 is C24H21ClN4OS.
What is the molecular weight of CBKinase1_006464?
The molecular weight of CBKinase1_006464 is 448.11 g/mol.
Where can I buy CBKinase1_006464?
You can request a quote for CBKinase1_006464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006464?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.