CBKinase1_001319
TL;DR: CBKinase1_001319 (CAS 327093-32-3) is a chemical compound with molecular formula C25H22N4O6S and molecular weight 506.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_001319, CBKinase1_013719, BRD-K35785466-001-01-5, 1-(3-nitrophenyl)-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(3-nitrophenyl)-2-((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
| Molecular Formula | C25H22N4O6S |
|---|---|
| Molecular Weight | 506.13 g/mol |
| LogP | 4.8433 |
| Topological Polar Surface Area | 118.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.126 |
| Heavy Atoms | 36 |
| Complexity | 1381.9373 |
Chemical Identifiers
| CAS Number | 327093-32-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
CBKinase1_001319 (CAS 327093-32-3), with molecular formula C25H22N4O6S and molecular weight 506.13 g/mol. IUPAC: 1-(3-nitrophenyl)-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_001319
Property Insights of CBKinase1_001319
The XLogP value of 4.8433 indicates that CBKinase1_001319 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.61 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001319. Following Lipinski's Rule of Five, CBKinase1_001319 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_001319?
The CAS number of CBKinase1_001319 is 327093-32-3.
What is the molecular formula of CBKinase1_001319?
The molecular formula of CBKinase1_001319 is C25H22N4O6S.
What is the molecular weight of CBKinase1_001319?
The molecular weight of CBKinase1_001319 is 506.13 g/mol.
Where can I buy CBKinase1_001319?
You can request a quote for CBKinase1_001319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001319?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.