CBKinase1_004665
TL;DR: CBKinase1_004665 (CAS 694499-11-1) is a chemical compound with molecular formula C24H18FN5OS and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide
Also Known As: CBKinase1_004665, CBKinase1_017065, BRD-K02232645-001-01-1, N-(4-{5-[(2-cyanobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide, N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide
| Molecular Formula | C24H18FN5OS |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 5.03748 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1216 |
| Heavy Atoms | 32 |
| Complexity | 1293.4717 |
Chemical Identifiers
| CAS Number | 694499-11-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F |
Product Overview
CBKinase1_004665 (CAS 694499-11-1), with molecular formula C24H18FN5OS and molecular weight 443.12 g/mol. IUPAC: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide.
Chemical Property Profile of CBKinase1_004665
Property Insights of CBKinase1_004665
The XLogP value of 5.03748 indicates that CBKinase1_004665 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004665. Following Lipinski's Rule of Five, CBKinase1_004665 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_004665?
The CAS number of CBKinase1_004665 is 694499-11-1.
What is the molecular formula of CBKinase1_004665?
The molecular formula of CBKinase1_004665 is C24H18FN5OS.
What is the molecular weight of CBKinase1_004665?
The molecular weight of CBKinase1_004665 is 443.12 g/mol.
Where can I buy CBKinase1_004665?
You can request a quote for CBKinase1_004665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004665?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.