CBKinase1_002245
TL;DR: CBKinase1_002245 (CAS 332935-66-7) is a chemical compound with molecular formula C20H19N5O4S and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_002245, CBKinase1_014645, BAS 01916126, BRD-K11869063-001-01-2, 1-(morpholin-4-yl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C20H19N5O4S |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 2.7934 |
| Topological Polar Surface Area | 103.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.11578 |
| Heavy Atoms | 30 |
| Complexity | 1033.1102 |
Chemical Identifiers
| CAS Number | 332935-66-7 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
CBKinase1_002245 (CAS 332935-66-7), with molecular formula C20H19N5O4S and molecular weight 425.12 g/mol. IUPAC: 1-morpholin-4-yl-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_002245
Property Insights of CBKinase1_002245
The XLogP value of 2.7934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_002245. The TPSA of 103.39 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002245. Following Lipinski's Rule of Five, CBKinase1_002245 has 0 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_002245?
The CAS number of CBKinase1_002245 is 332935-66-7.
What is the molecular formula of CBKinase1_002245?
The molecular formula of CBKinase1_002245 is C20H19N5O4S.
What is the molecular weight of CBKinase1_002245?
The molecular weight of CBKinase1_002245 is 425.12 g/mol.
Where can I buy CBKinase1_002245?
You can request a quote for CBKinase1_002245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002245?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.