CBKinase1_004447
TL;DR: CBKinase1_004447 (CAS 694467-77-1) is a chemical compound with molecular formula C20H21ClN4OS and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
Also Known As: CBKinase1_004447, CBKinase1_016847, AB01249721-02, BRD-K05156815-001-01-3, 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
| Molecular Formula | C20H21ClN4OS |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 4.9897 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.11246 |
| Heavy Atoms | 27 |
| Complexity | 937.4097 |
Chemical Identifiers
| CAS Number | 694467-77-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3Cl |
Product Overview
CBKinase1_004447 (CAS 694467-77-1), with molecular formula C20H21ClN4OS and molecular weight 400.11 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.
Chemical Property Profile of CBKinase1_004447
Property Insights of CBKinase1_004447
The XLogP value of 4.9897 indicates that CBKinase1_004447 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_004447 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004447 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_004447?
The CAS number of CBKinase1_004447 is 694467-77-1.
What is the molecular formula of CBKinase1_004447?
The molecular formula of CBKinase1_004447 is C20H21ClN4OS.
What is the molecular weight of CBKinase1_004447?
The molecular weight of CBKinase1_004447 is 400.11 g/mol.
Where can I buy CBKinase1_004447?
You can request a quote for CBKinase1_004447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004447?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.