CBKinase1_002517
TL;DR: CBKinase1_002517 (CAS 693231-51-5) is a chemical compound with molecular formula C19H19BrN4OS and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: CBKinase1_002517, CBKinase1_014917, AN-698/41761053, BRD-K35416298-001-01-1, 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
| Molecular Formula | C19H19BrN4OS |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 4.76672 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.0463 |
| Heavy Atoms | 26 |
| Complexity | 908.15753 |
Chemical Identifiers
| CAS Number | 693231-51-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_002517 (CAS 693231-51-5), with molecular formula C19H19BrN4OS and molecular weight 430.05 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_002517
Property Insights of CBKinase1_002517
The XLogP value of 4.76672 indicates that CBKinase1_002517 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_002517 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002517 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_002517?
The CAS number of CBKinase1_002517 is 693231-51-5.
What is the molecular formula of CBKinase1_002517?
The molecular formula of CBKinase1_002517 is C19H19BrN4OS.
What is the molecular weight of CBKinase1_002517?
The molecular weight of CBKinase1_002517 is 430.05 g/mol.
Where can I buy CBKinase1_002517?
You can request a quote for CBKinase1_002517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002517?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.