CBKinase1_003096
TL;DR: CBKinase1_003096 (CAS 692774-63-3) is a chemical compound with molecular formula C17H14BrClN4OS and molecular weight 435.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
Also Known As: CBKinase1_003096, CBKinase1_015496, BRD-K01767564-001-01-4, 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide, 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
| Molecular Formula | C17H14BrClN4OS |
|---|---|
| Molecular Weight | 435.98 g/mol |
| LogP | 4.6288 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.976 |
| Heavy Atoms | 25 |
| Complexity | 880.66846 |
Chemical Identifiers
| CAS Number | 692774-63-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_003096 (CAS 692774-63-3), with molecular formula C17H14BrClN4OS and molecular weight 435.98 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide.
Chemical Property Profile of CBKinase1_003096
Property Insights of CBKinase1_003096
The XLogP value of 4.6288 indicates that CBKinase1_003096 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_003096 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003096 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_003096?
The CAS number of CBKinase1_003096 is 692774-63-3.
What is the molecular formula of CBKinase1_003096?
The molecular formula of CBKinase1_003096 is C17H14BrClN4OS.
What is the molecular weight of CBKinase1_003096?
The molecular weight of CBKinase1_003096 is 435.98 g/mol.
Where can I buy CBKinase1_003096?
You can request a quote for CBKinase1_003096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003096?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.