CBKinase1_009142
TL;DR: CBKinase1_009142 (CAS 712283-80-2) is a chemical compound with molecular formula C22H16BrFN4OS and molecular weight 482.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_009142, CBKinase1_021542, BRD-K02887245-001-01-6, N-(4-bromophenyl)-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromophenyl)-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H16BrFN4OS |
|---|---|
| Molecular Weight | 482.02 g/mol |
| LogP | 5.5667 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.0212 |
| Heavy Atoms | 30 |
| Complexity | 1165.4933 |
Chemical Identifiers
| CAS Number | 712283-80-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4F |
Product Overview
CBKinase1_009142 (CAS 712283-80-2), with molecular formula C22H16BrFN4OS and molecular weight 482.02 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_009142
Property Insights of CBKinase1_009142
The XLogP value of 5.5667 indicates that CBKinase1_009142 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_009142 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_009142 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_009142?
The CAS number of CBKinase1_009142 is 712283-80-2.
What is the molecular formula of CBKinase1_009142?
The molecular formula of CBKinase1_009142 is C22H16BrFN4OS.
What is the molecular weight of CBKinase1_009142?
The molecular weight of CBKinase1_009142 is 482.02 g/mol.
Where can I buy CBKinase1_009142?
You can request a quote for CBKinase1_009142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009142?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.