CBKinase1_002756
TL;DR: CBKinase1_002756 (CAS 526192-78-9) is a chemical compound with molecular formula C16H14BrN5OS and molecular weight 403.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_002756, CBKinase1_015156, N-(4-bromophenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, BRD-K08139006-001-01-5, N-(4-bromophenyl)-2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C16H14BrN5OS |
|---|---|
| Molecular Weight | 403.01 g/mol |
| LogP | 3.3704 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.01025 |
| Heavy Atoms | 24 |
| Complexity | 835.4339 |
Chemical Identifiers
| CAS Number | 526192-78-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CN=CC=C3 |
Product Overview
CBKinase1_002756 (CAS 526192-78-9), with molecular formula C16H14BrN5OS and molecular weight 403.01 g/mol. IUPAC: N-(4-bromophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002756
Property Insights of CBKinase1_002756
The XLogP value of 3.3704 indicates that CBKinase1_002756 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002756. Following Lipinski's Rule of Five, CBKinase1_002756 has 1 hydrogen bond donor(s) and 5 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_002756?
The CAS number of CBKinase1_002756 is 526192-78-9.
What is the molecular formula of CBKinase1_002756?
The molecular formula of CBKinase1_002756 is C16H14BrN5OS.
What is the molecular weight of CBKinase1_002756?
The molecular weight of CBKinase1_002756 is 403.01 g/mol.
Where can I buy CBKinase1_002756?
You can request a quote for CBKinase1_002756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002756?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.