CBKinase1_000572
TL;DR: CBKinase1_000572 (CAS 331710-55-5) is a chemical compound with molecular formula C20H15FN4O2S and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_000572, CBKinase1_012972, N-(4-Fluorophenyl)-2-((5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, BAS 00436004, BRD-K86501825-001-01-0
| Molecular Formula | C20H15FN4O2S |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 4.3972 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.08997 |
| Heavy Atoms | 28 |
| Complexity | 1063.5559 |
Chemical Identifiers
| CAS Number | 331710-55-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)C4=CC=CO4 |
Product Overview
CBKinase1_000572 (CAS 331710-55-5), with molecular formula C20H15FN4O2S and molecular weight 394.09 g/mol. IUPAC: N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_000572
Property Insights of CBKinase1_000572
The XLogP value of 4.3972 indicates that CBKinase1_000572 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000572. Following Lipinski's Rule of Five, CBKinase1_000572 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_000572?
The CAS number of CBKinase1_000572 is 331710-55-5.
What is the molecular formula of CBKinase1_000572?
The molecular formula of CBKinase1_000572 is C20H15FN4O2S.
What is the molecular weight of CBKinase1_000572?
The molecular weight of CBKinase1_000572 is 394.09 g/mol.
Where can I buy CBKinase1_000572?
You can request a quote for CBKinase1_000572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000572?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.