CBKinase1_003702
TL;DR: CBKinase1_003702 (CAS 663157-89-9) is a chemical compound with molecular formula C25H24N4OS and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
Also Known As: CBKinase1_003702, CBKinase1_016102, BRD-K57259102-001-01-4, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
| Molecular Formula | C25H24N4OS |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | 5.53592 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.16708 |
| Heavy Atoms | 31 |
| Complexity | 1172.8685 |
Chemical Identifiers
| CAS Number | 663157-89-9 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C |
Product Overview
CBKinase1_003702 (CAS 663157-89-9), with molecular formula C25H24N4OS and molecular weight 428.17 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_003702
Property Insights of CBKinase1_003702
The XLogP value of 5.53592 indicates that CBKinase1_003702 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_003702 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003702 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_003702?
The CAS number of CBKinase1_003702 is 663157-89-9.
What is the molecular formula of CBKinase1_003702?
The molecular formula of CBKinase1_003702 is C25H24N4OS.
What is the molecular weight of CBKinase1_003702?
The molecular weight of CBKinase1_003702 is 428.17 g/mol.
Where can I buy CBKinase1_003702?
You can request a quote for CBKinase1_003702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003702?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.