CBKinase1_011515
TL;DR: CBKinase1_011515 (CAS 712283-94-8) is a chemical compound with molecular formula C20H15BrFN3OS and molecular weight 443.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole
Also Known As: CBKinase1_011515, CBKinase1_023915, BRD-K84100494-001-01-3, 3-[(4-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole, 3-((4-bromobenzyl)thio)-5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
| Molecular Formula | C20H15BrFN3OS |
|---|---|
| Molecular Weight | 443.01 g/mol |
| LogP | 5.7803 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.0103 |
| Heavy Atoms | 27 |
| Complexity | 1031.8336 |
Chemical Identifiers
| CAS Number | 712283-94-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br)F |
Product Overview
CBKinase1_011515 (CAS 712283-94-8), with molecular formula C20H15BrFN3OS and molecular weight 443.01 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole.
Chemical Property Profile of CBKinase1_011515
Property Insights of CBKinase1_011515
The XLogP value of 5.7803 indicates that CBKinase1_011515 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.85 Ų, CBKinase1_011515 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_011515 has 0 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_011515?
The CAS number of CBKinase1_011515 is 712283-94-8.
What is the molecular formula of CBKinase1_011515?
The molecular formula of CBKinase1_011515 is C20H15BrFN3OS.
What is the molecular weight of CBKinase1_011515?
The molecular weight of CBKinase1_011515 is 443.01 g/mol.
Where can I buy CBKinase1_011515?
You can request a quote for CBKinase1_011515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011515?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.