CBKinase1_003848
TL;DR: CBKinase1_003848 (CAS 694465-55-9) is a chemical compound with molecular formula C18H16BrFN4OS and molecular weight 434.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003848, CBKinase1_016248, BRD-K66762472-001-01-8, N-(4-bromo-2-fluorophenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-2-fluorophenyl)-2-{[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H16BrFN4OS |
|---|---|
| Molecular Weight | 434.02 g/mol |
| LogP | 4.42292 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.0212 |
| Heavy Atoms | 26 |
| Complexity | 960.1142 |
Chemical Identifiers
| CAS Number | 694465-55-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)F |
Product Overview
CBKinase1_003848 (CAS 694465-55-9), with molecular formula C18H16BrFN4OS and molecular weight 434.02 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003848
Property Insights of CBKinase1_003848
The XLogP value of 4.42292 indicates that CBKinase1_003848 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_003848 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003848 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_003848?
The CAS number of CBKinase1_003848 is 694465-55-9.
What is the molecular formula of CBKinase1_003848?
The molecular formula of CBKinase1_003848 is C18H16BrFN4OS.
What is the molecular weight of CBKinase1_003848?
The molecular weight of CBKinase1_003848 is 434.02 g/mol.
Where can I buy CBKinase1_003848?
You can request a quote for CBKinase1_003848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003848?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.