CBKinase1_002682
TL;DR: CBKinase1_002682 (CAS 537702-83-3) is a chemical compound with molecular formula C17H10BrClF3N3O2S and molecular weight 490.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_002682, CBKinase1_015082, A3176/0134455, BRD-K93125429-001-01-9, 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C17H10BrClF3N3O2S |
|---|---|
| Molecular Weight | 490.93 g/mol |
| LogP | 5.9021 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.93176 |
| Heavy Atoms | 28 |
| Complexity | 996.05786 |
Chemical Identifiers
| CAS Number | 537702-83-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN=C(O2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)Br |
Product Overview
CBKinase1_002682 (CAS 537702-83-3), with molecular formula C17H10BrClF3N3O2S and molecular weight 490.93 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_002682
Property Insights of CBKinase1_002682
The XLogP value of 5.9021 indicates that CBKinase1_002682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002682. Following Lipinski's Rule of Five, CBKinase1_002682 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002682?
The CAS number of CBKinase1_002682 is 537702-83-3.
What is the molecular formula of CBKinase1_002682?
The molecular formula of CBKinase1_002682 is C17H10BrClF3N3O2S.
What is the molecular weight of CBKinase1_002682?
The molecular weight of CBKinase1_002682 is 490.93 g/mol.
Where can I buy CBKinase1_002682?
You can request a quote for CBKinase1_002682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002682?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.