CBKinase1_006552
TL;DR: CBKinase1_006552 (CAS 701274-18-2) is a chemical compound with molecular formula C16H17F3N4O3S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_006552, CBKinase1_018952, AN-988/42466408, BRD-K63325759-001-01-1, 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C16H17F3N4O3S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 2.96422 |
| Topological Polar Surface Area | 80.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.09735 |
| Heavy Atoms | 27 |
| Complexity | 806.4484 |
Chemical Identifiers
| CAS Number | 701274-18-2 |
|---|---|
| SMILES | CC1=NN=C(O1)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 |
Product Overview
CBKinase1_006552 (CAS 701274-18-2), with molecular formula C16H17F3N4O3S and molecular weight 402.10 g/mol. IUPAC: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_006552
Property Insights of CBKinase1_006552
The XLogP value of 2.96422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_006552. The TPSA of 80.49 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006552. Following Lipinski's Rule of Five, CBKinase1_006552 has 1 hydrogen bond donor(s) and 7 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_006552?
The CAS number of CBKinase1_006552 is 701274-18-2.
What is the molecular formula of CBKinase1_006552?
The molecular formula of CBKinase1_006552 is C16H17F3N4O3S.
What is the molecular weight of CBKinase1_006552?
The molecular weight of CBKinase1_006552 is 402.10 g/mol.
Where can I buy CBKinase1_006552?
You can request a quote for CBKinase1_006552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006552?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.