RefChem:509812
TL;DR: RefChem:509812 (CAS 606961-57-3) is a chemical compound with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[2-(4-ethoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-2,6-dimethylphenyl] acetate
Also Known As: 4-[(E)-(2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]-2,6-dimethylphenyl acetate, [4-[(E)-[2-(4-ethoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-2,6-dimethylphenyl] acetate, 4-((E)-(2-(4-Ethoxyphenyl)-6-oxo(1,3)thiazolo(3,2-B)(1,2,4)triazol-5(6H)-ylidene)methyl)-2,6-dimethylphenyl acetate, 4-{(E)-[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2,6-dimethylphenyl acetate, 645-720-1
| Molecular Formula | C23H21N3O4S |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 3.30654 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.12527 |
| Heavy Atoms | 31 |
| Complexity | 1363.9535 |
Chemical Identifiers
| CAS Number | 606961-57-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=C(C(=C4)C)OC(=O)C)C)/SC3=N2 |
Product Overview
RefChem:509812 (CAS 606961-57-3), with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol. IUPAC: [4-[(E)-[2-(4-ethoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-2,6-dimethylphenyl] acetate.
Chemical Property Profile of RefChem:509812
Property Insights of RefChem:509812
The XLogP value of 3.30654 indicates that RefChem:509812 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:509812. Following Lipinski's Rule of Five, RefChem:509812 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 RefChem:509812?
The CAS number of RefChem:509812 is 606961-57-3.
What is the molecular formula of RefChem:509812?
The molecular formula of RefChem:509812 is C23H21N3O4S.
What is the molecular weight of RefChem:509812?
The molecular weight of RefChem:509812 is 435.13 g/mol.
Where can I buy RefChem:509812?
You can request a quote for RefChem:509812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:509812?
Yes, KEHONG BIO provides custom synthesis services for RefChem:509812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.