CBKinase1_002401
TL;DR: CBKinase1_002401 (CAS 693231-40-2) is a chemical compound with molecular formula C18H16BrClN4OS and molecular weight 449.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
Also Known As: CBKinase1_002401, CBKinase1_014801, BRD-K16732671-001-01-1, 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide, 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
| Molecular Formula | C18H16BrClN4OS |
|---|---|
| Molecular Weight | 449.99 g/mol |
| LogP | 4.93722 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.99167 |
| Heavy Atoms | 26 |
| Complexity | 942.8642 |
Chemical Identifiers
| CAS Number | 693231-40-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_002401 (CAS 693231-40-2), with molecular formula C18H16BrClN4OS and molecular weight 449.99 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_002401
Property Insights of CBKinase1_002401
The XLogP value of 4.93722 indicates that CBKinase1_002401 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_002401 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002401 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_002401?
The CAS number of CBKinase1_002401 is 693231-40-2.
What is the molecular formula of CBKinase1_002401?
The molecular formula of CBKinase1_002401 is C18H16BrClN4OS.
What is the molecular weight of CBKinase1_002401?
The molecular weight of CBKinase1_002401 is 449.99 g/mol.
Where can I buy CBKinase1_002401?
You can request a quote for CBKinase1_002401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002401?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.