CBKinase1_005536
TL;DR: CBKinase1_005536 (CAS 701221-10-5) is a chemical compound with molecular formula C18H17BrN4OS and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
Also Known As: CBKinase1_005536, CBKinase1_017936, BRD-K28042214-001-01-5, 2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone, 2-{[5-(3-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone
| Molecular Formula | C18H17BrN4OS |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 4.2847 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.03064 |
| Heavy Atoms | 25 |
| Complexity | 892.3467 |
Chemical Identifiers
| CAS Number | 701221-10-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)N |
Product Overview
CBKinase1_005536 (CAS 701221-10-5), with molecular formula C18H17BrN4OS and molecular weight 416.03 g/mol. IUPAC: 2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone.
Chemical Property Profile of CBKinase1_005536
Property Insights of CBKinase1_005536
The XLogP value of 4.2847 indicates that CBKinase1_005536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005536. Following Lipinski's Rule of Five, CBKinase1_005536 has 1 hydrogen bond donor(s) and 5 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_005536?
The CAS number of CBKinase1_005536 is 701221-10-5.
What is the molecular formula of CBKinase1_005536?
The molecular formula of CBKinase1_005536 is C18H17BrN4OS.
What is the molecular weight of CBKinase1_005536?
The molecular weight of CBKinase1_005536 is 416.03 g/mol.
Where can I buy CBKinase1_005536?
You can request a quote for CBKinase1_005536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005536?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.