CBKinase1_002365
TL;DR: CBKinase1_002365 (CAS 479396-22-0) 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-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
Also Known As: CBKinase1_002365, CBKinase1_014765, BRD-K87774670-001-01-8, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
| Molecular Formula | C23H19N5O4S |
|---|---|
| Molecular Weight | 461.12 g/mol |
| LogP | 4.5819 |
| 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 | 1278.7736 |
Chemical Identifiers
| CAS Number | 479396-22-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
CBKinase1_002365 (CAS 479396-22-0), with molecular formula C23H19N5O4S and molecular weight 461.12 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide.
Chemical Property Profile of CBKinase1_002365
Property Insights of CBKinase1_002365
The XLogP value of 4.5819 indicates that CBKinase1_002365 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_002365. Following Lipinski's Rule of Five, CBKinase1_002365 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_002365?
The CAS number of CBKinase1_002365 is 479396-22-0.
What is the molecular formula of CBKinase1_002365?
The molecular formula of CBKinase1_002365 is C23H19N5O4S.
What is the molecular weight of CBKinase1_002365?
The molecular weight of CBKinase1_002365 is 461.12 g/mol.
Where can I buy CBKinase1_002365?
You can request a quote for CBKinase1_002365 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002365?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002365 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.