CBKinase1_005172
TL;DR: CBKinase1_005172 (CAS 694516-75-1) is a chemical compound with molecular formula C25H19F4N5O2S and molecular weight 529.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[4-[4-methyl-5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: CBKinase1_005172, CBKinase1_017572, BRD-K83179783-001-01-8, 4-fluoro-N-(4-{4-methyl-5-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide, 4-fluoro-N-[4-[4-methyl-5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
| Molecular Formula | C25H19F4N5O2S |
|---|---|
| Molecular Weight | 529.12 g/mol |
| LogP | 5.6231 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.11957 |
| Heavy Atoms | 37 |
| Complexity | 1420.5253 |
Chemical Identifiers
| CAS Number | 694516-75-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F |
Product Overview
CBKinase1_005172 (CAS 694516-75-1), with molecular formula C25H19F4N5O2S and molecular weight 529.12 g/mol. IUPAC: 4-fluoro-N-[4-[4-methyl-5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of CBKinase1_005172
Property Insights of CBKinase1_005172
The XLogP value of 5.6231 indicates that CBKinase1_005172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005172. Following Lipinski's Rule of Five, CBKinase1_005172 has 2 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_005172?
The CAS number of CBKinase1_005172 is 694516-75-1.
What is the molecular formula of CBKinase1_005172?
The molecular formula of CBKinase1_005172 is C25H19F4N5O2S.
What is the molecular weight of CBKinase1_005172?
The molecular weight of CBKinase1_005172 is 529.12 g/mol.
Where can I buy CBKinase1_005172?
You can request a quote for CBKinase1_005172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005172?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.