CBKinase1_002561
TL;DR: CBKinase1_002561 (CAS 693242-23-8) is a chemical compound with molecular formula C19H19IN4OS and molecular weight 478.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
Also Known As: CBKinase1_002561, CBKinase1_014961, BRD-K51132736-001-01-3, 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide, 2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
| Molecular Formula | C19H19IN4OS |
|---|---|
| Molecular Weight | 478.03 g/mol |
| LogP | 4.60882 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.03244 |
| Heavy Atoms | 26 |
| Complexity | 911.15753 |
Chemical Identifiers
| CAS Number | 693242-23-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)I)C)C3=CC=CC=C3 |
Product Overview
CBKinase1_002561 (CAS 693242-23-8), with molecular formula C19H19IN4OS and molecular weight 478.03 g/mol. IUPAC: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_002561
Property Insights of CBKinase1_002561
The XLogP value of 4.60882 indicates that CBKinase1_002561 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_002561 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002561 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_002561?
The CAS number of CBKinase1_002561 is 693242-23-8.
What is the molecular formula of CBKinase1_002561?
The molecular formula of CBKinase1_002561 is C19H19IN4OS.
What is the molecular weight of CBKinase1_002561?
The molecular weight of CBKinase1_002561 is 478.03 g/mol.
Where can I buy CBKinase1_002561?
You can request a quote for CBKinase1_002561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002561?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.