CBKinase1_009068
TL;DR: CBKinase1_009068 (CAS 712282-56-9) is a chemical compound with molecular formula C21H16BrN5OS and molecular weight 465.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_009068, CBKinase1_021468, BRD-K05394754-001-01-3, N-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-bromophenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H16BrN5OS |
|---|---|
| Molecular Weight | 465.03 g/mol |
| LogP | 4.8226 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.02588 |
| Heavy Atoms | 29 |
| Complexity | 1101.1467 |
Chemical Identifiers
| CAS Number | 712282-56-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=N4 |
Product Overview
CBKinase1_009068 (CAS 712282-56-9), with molecular formula C21H16BrN5OS and molecular weight 465.03 g/mol. IUPAC: N-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_009068
Property Insights of CBKinase1_009068
The XLogP value of 4.8226 indicates that CBKinase1_009068 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_009068. Following Lipinski's Rule of Five, CBKinase1_009068 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_009068?
The CAS number of CBKinase1_009068 is 712282-56-9.
What is the molecular formula of CBKinase1_009068?
The molecular formula of CBKinase1_009068 is C21H16BrN5OS.
What is the molecular weight of CBKinase1_009068?
The molecular weight of CBKinase1_009068 is 465.03 g/mol.
Where can I buy CBKinase1_009068?
You can request a quote for CBKinase1_009068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009068?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.