ChemDiv1_021023
TL;DR: ChemDiv1_021023 (CAS 324564-00-3) is a chemical compound with molecular formula C21H16N4O6S and molecular weight 452.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-[(E)-[2-(3-nitrophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
Also Known As: ChemDiv1_021023, [2-ethoxy-4-[(E)-[2-(3-nitrophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate, (E)-2-ethoxy-4-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate, 2-ethoxy-4-{(E)-[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate, 2-ETHOXY-4-{[(5E)-2-(3-NITROPHENYL)-6-OXO-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-5-YLIDENE]METHYL}PHENYL ACETATE
| Molecular Formula | C21H16N4O6S |
|---|---|
| Molecular Weight | 452.08 g/mol |
| LogP | 2.5979 |
| Topological Polar Surface Area | 125.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.07904 |
| Heavy Atoms | 32 |
| Complexity | 1458.9714 |
Chemical Identifiers
| CAS Number | 324564-00-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC(=CC=C4)[N+](=O)[O-])S2)OC(=O)C |
Product Overview
ChemDiv1_021023 (CAS 324564-00-3), with molecular formula C21H16N4O6S and molecular weight 452.08 g/mol. IUPAC: [2-ethoxy-4-[(E)-[2-(3-nitrophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate.
Chemical Property Profile of ChemDiv1_021023
Property Insights of ChemDiv1_021023
The XLogP value of 2.5979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021023. The TPSA of 125.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021023. Following Lipinski's Rule of Five, ChemDiv1_021023 has 0 hydrogen bond donor(s) and 9 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 ChemDiv1_021023?
The CAS number of ChemDiv1_021023 is 324564-00-3.
What is the molecular formula of ChemDiv1_021023?
The molecular formula of ChemDiv1_021023 is C21H16N4O6S.
What is the molecular weight of ChemDiv1_021023?
The molecular weight of ChemDiv1_021023 is 452.08 g/mol.
Where can I buy ChemDiv1_021023?
You can request a quote for ChemDiv1_021023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021023?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.