CBKinase1_000614
TL;DR: CBKinase1_000614 (CAS 329921-80-4) is a chemical compound with molecular formula C22H16F2N4OS and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_000614, CBKinase1_013014, BAS 00436084, AB00091646-01, BRD-K50969759-001-01-1
| Molecular Formula | C22H16F2N4OS |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 4.9433 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.1013 |
| Heavy Atoms | 30 |
| Complexity | 1163.4933 |
Chemical Identifiers
| CAS Number | 329921-80-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)C4=CC(=CC=C4)F |
Product Overview
CBKinase1_000614 (CAS 329921-80-4), with molecular formula C22H16F2N4OS and molecular weight 422.10 g/mol. IUPAC: N-(4-fluorophenyl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_000614
Property Insights of CBKinase1_000614
The XLogP value of 4.9433 indicates that CBKinase1_000614 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_000614 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_000614 has 1 hydrogen bond donor(s) and 4 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_000614?
The CAS number of CBKinase1_000614 is 329921-80-4.
What is the molecular formula of CBKinase1_000614?
The molecular formula of CBKinase1_000614 is C22H16F2N4OS.
What is the molecular weight of CBKinase1_000614?
The molecular weight of CBKinase1_000614 is 422.10 g/mol.
Where can I buy CBKinase1_000614?
You can request a quote for CBKinase1_000614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000614?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.