CBKinase1_009638
TL;DR: CBKinase1_009638 (CAS 714209-07-1) is a chemical compound with molecular formula C17H13BrClFN4OS and molecular weight 453.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-3-chlorophenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_009638, CBKinase1_022038, BRD-K66487969-001-01-2, N-(4-bromo-3-chlorophenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-3-chlorophenyl)-2-{[5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C17H13BrClFN4OS |
|---|---|
| Molecular Weight | 453.97 g/mol |
| LogP | 4.7679 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.9666 |
| Heavy Atoms | 26 |
| Complexity | 965.686 |
Chemical Identifiers
| CAS Number | 714209-07-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)Cl)C3=CC=CC=C3F |
Product Overview
CBKinase1_009638 (CAS 714209-07-1), with molecular formula C17H13BrClFN4OS and molecular weight 453.97 g/mol. IUPAC: N-(4-bromo-3-chlorophenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_009638
Property Insights of CBKinase1_009638
The XLogP value of 4.7679 indicates that CBKinase1_009638 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_009638 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_009638 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_009638?
The CAS number of CBKinase1_009638 is 714209-07-1.
What is the molecular formula of CBKinase1_009638?
The molecular formula of CBKinase1_009638 is C17H13BrClFN4OS.
What is the molecular weight of CBKinase1_009638?
The molecular weight of CBKinase1_009638 is 453.97 g/mol.
Where can I buy CBKinase1_009638?
You can request a quote for CBKinase1_009638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009638?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.