CBKinase1_006088
TL;DR: CBKinase1_006088 (CAS 701954-00-9) is a chemical compound with molecular formula C22H15BrF2N4OS and molecular weight 500.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_006088, CBKinase1_018488, BRD-K82938074-001-01-6, N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C22H15BrF2N4OS |
|---|---|
| Molecular Weight | 500.01 g/mol |
| LogP | 5.7058 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.0118 |
| Heavy Atoms | 31 |
| Complexity | 1195.9253 |
Chemical Identifiers
| CAS Number | 701954-00-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=C(C=C4Br)F)F |
Product Overview
CBKinase1_006088 (CAS 701954-00-9), with molecular formula C22H15BrF2N4OS and molecular weight 500.01 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_006088
Property Insights of CBKinase1_006088
The XLogP value of 5.7058 indicates that CBKinase1_006088 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_006088 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_006088 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_006088?
The CAS number of CBKinase1_006088 is 701954-00-9.
What is the molecular formula of CBKinase1_006088?
The molecular formula of CBKinase1_006088 is C22H15BrF2N4OS.
What is the molecular weight of CBKinase1_006088?
The molecular weight of CBKinase1_006088 is 500.01 g/mol.
Where can I buy CBKinase1_006088?
You can request a quote for CBKinase1_006088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006088?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.