CBKinase1_002648
TL;DR: CBKinase1_002648 (CAS 332935-70-3) is a chemical compound with molecular formula C22H16FN5O3S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_002648, CBKinase1_015048, BAS 01916130, BRD-K44832409-001-01-4, N-(4-fluorophenyl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H16FN5O3S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 4.7124 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.0958 |
| Heavy Atoms | 32 |
| Complexity | 1245.0686 |
Chemical Identifiers
| CAS Number | 332935-70-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
CBKinase1_002648 (CAS 332935-70-3), with molecular formula C22H16FN5O3S and molecular weight 449.10 g/mol. IUPAC: N-(4-fluorophenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002648
Property Insights of CBKinase1_002648
The XLogP value of 4.7124 indicates that CBKinase1_002648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002648. Following Lipinski's Rule of Five, CBKinase1_002648 has 1 hydrogen bond donor(s) and 6 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_002648?
The CAS number of CBKinase1_002648 is 332935-70-3.
What is the molecular formula of CBKinase1_002648?
The molecular formula of CBKinase1_002648 is C22H16FN5O3S.
What is the molecular weight of CBKinase1_002648?
The molecular weight of CBKinase1_002648 is 449.10 g/mol.
Where can I buy CBKinase1_002648?
You can request a quote for CBKinase1_002648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002648?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.