CBKinase1_005746
TL;DR: CBKinase1_005746 (CAS 701228-32-2) is a chemical compound with molecular formula C23H19N5O4S and molecular weight 461.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Also Known As: CBKinase1_005746, CBKinase1_018146, BRD-K23797025-001-01-8, 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide, 2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
| Molecular Formula | C23H19N5O4S |
|---|---|
| Molecular Weight | 461.12 g/mol |
| LogP | 4.9134 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.11578 |
| Heavy Atoms | 33 |
| Complexity | 1258.5236 |
Chemical Identifiers
| CAS Number | 701228-32-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
CBKinase1_005746 (CAS 701228-32-2), with molecular formula C23H19N5O4S and molecular weight 461.12 g/mol. IUPAC: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide.
Chemical Property Profile of CBKinase1_005746
Property Insights of CBKinase1_005746
The XLogP value of 4.9134 indicates that CBKinase1_005746 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005746. Following Lipinski's Rule of Five, CBKinase1_005746 has 1 hydrogen bond donor(s) and 7 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_005746?
The CAS number of CBKinase1_005746 is 701228-32-2.
What is the molecular formula of CBKinase1_005746?
The molecular formula of CBKinase1_005746 is C23H19N5O4S.
What is the molecular weight of CBKinase1_005746?
The molecular weight of CBKinase1_005746 is 461.12 g/mol.
Where can I buy CBKinase1_005746?
You can request a quote for CBKinase1_005746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005746?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.