CBKinase1_008394
TL;DR: CBKinase1_008394 (CAS 710982-44-8) is a chemical compound with molecular formula C22H16BrClN4OS and molecular weight 497.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_008394, CBKinase1_020794, N-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, BRD-K07061353-001-01-1, N-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
| Molecular Formula | C22H16BrClN4OS |
|---|---|
| Molecular Weight | 497.99 g/mol |
| LogP | 6.081 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.99167 |
| Heavy Atoms | 30 |
| Complexity | 1165.4933 |
Chemical Identifiers
| CAS Number | 710982-44-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4Cl |
Product Overview
CBKinase1_008394 (CAS 710982-44-8), with molecular formula C22H16BrClN4OS and molecular weight 497.99 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008394
Property Insights of CBKinase1_008394
The XLogP value of 6.081 indicates that CBKinase1_008394 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_008394 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_008394 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_008394?
The CAS number of CBKinase1_008394 is 710982-44-8.
What is the molecular formula of CBKinase1_008394?
The molecular formula of CBKinase1_008394 is C22H16BrClN4OS.
What is the molecular weight of CBKinase1_008394?
The molecular weight of CBKinase1_008394 is 497.99 g/mol.
Where can I buy CBKinase1_008394?
You can request a quote for CBKinase1_008394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008394?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.