RefChem:488835
TL;DR: RefChem:488835 (CAS 618073-53-3) is a chemical compound with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-[6-oxo-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
Also Known As: 3-[(E)-(2-(4-isopropoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate, [3-[(E)-[6-oxo-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate, 3-((E)-(2-(4-ISOPROPOXYPHENYL)-6-OXO(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-5(6H)-YLIDENE)METHYL)PHENYL ACETATE, 3-[(E)-{6-oxo-2-[4-(propan-2-yloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]phenyl acetate, 637-732-0
| Molecular Formula | C22H19N3O4S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 3.0782 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.10962 |
| Heavy Atoms | 30 |
| Complexity | 1322.9237 |
Chemical Identifiers
| CAS Number | 618073-53-3 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=CC=C4)OC(=O)C)/SC3=N2 |
Product Overview
RefChem:488835 (CAS 618073-53-3), with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol. IUPAC: [3-[(E)-[6-oxo-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate.
Chemical Property Profile of RefChem:488835
Property Insights of RefChem:488835
The XLogP value of 3.0782 indicates that RefChem:488835 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:488835. Following Lipinski's Rule of Five, RefChem:488835 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:488835?
The CAS number of RefChem:488835 is 618073-53-3.
What is the molecular formula of RefChem:488835?
The molecular formula of RefChem:488835 is C22H19N3O4S.
What is the molecular weight of RefChem:488835?
The molecular weight of RefChem:488835 is 421.11 g/mol.
Where can I buy RefChem:488835?
You can request a quote for RefChem:488835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:488835?
Yes, KEHONG BIO provides custom synthesis services for RefChem:488835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.