CBKinase1_004686
TL;DR: CBKinase1_004686 (CAS 694486-20-9) is a chemical compound with molecular formula C26H22FN5O2S and molecular weight 487.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide
Also Known As: CBKinase1_004686, CBKinase1_017086, BRD-K00635442-001-01-2, N-[4-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4-fluorobenzamide, N-[4-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide
| Molecular Formula | C26H22FN5O2S |
|---|---|
| Molecular Weight | 487.15 g/mol |
| LogP | 4.5549 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.14783 |
| Heavy Atoms | 35 |
| Complexity | 1385.8849 |
Chemical Identifiers
| CAS Number | 694486-20-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F |
Product Overview
CBKinase1_004686 (CAS 694486-20-9), with molecular formula C26H22FN5O2S and molecular weight 487.15 g/mol. IUPAC: N-[4-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide.
Chemical Property Profile of CBKinase1_004686
Property Insights of CBKinase1_004686
The XLogP value of 4.5549 indicates that CBKinase1_004686 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004686. Following Lipinski's Rule of Five, CBKinase1_004686 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_004686?
The CAS number of CBKinase1_004686 is 694486-20-9.
What is the molecular formula of CBKinase1_004686?
The molecular formula of CBKinase1_004686 is C26H22FN5O2S.
What is the molecular weight of CBKinase1_004686?
The molecular weight of CBKinase1_004686 is 487.15 g/mol.
Where can I buy CBKinase1_004686?
You can request a quote for CBKinase1_004686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004686?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.