AN-758/13663016
TL;DR: AN-758/13663016 (CAS 354787-46-5) is a chemical compound with molecular formula C21H17N3O6S2 and molecular weight 471.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-758/13663016, ethyl (2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-(2-hydroxy-5-nitrobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-{2-hydroxy-5-nitrobenzylidene}-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C21H17N3O6S2 |
|---|---|
| Molecular Weight | 471.06 g/mol |
| LogP | 2.4736 |
| Topological Polar Surface Area | 124.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.05588 |
| Heavy Atoms | 32 |
| Complexity | 1432.965 |
Chemical Identifiers
| CAS Number | 354787-46-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)/C(=C/C4=C(C=CC(=C4)[N+](=O)[O-])O)/S2)C |
Product Overview
AN-758/13663016 (CAS 354787-46-5), with molecular formula C21H17N3O6S2 and molecular weight 471.06 g/mol. IUPAC: ethyl (2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-758/13663016
Property Insights of AN-758/13663016
The XLogP value of 2.4736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-758/13663016. The TPSA of 124.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-758/13663016. Following Lipinski's Rule of Five, AN-758/13663016 has 1 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 AN-758/13663016?
The CAS number of AN-758/13663016 is 354787-46-5.
What is the molecular formula of AN-758/13663016?
The molecular formula of AN-758/13663016 is C21H17N3O6S2.
What is the molecular weight of AN-758/13663016?
The molecular weight of AN-758/13663016 is 471.06 g/mol.
Where can I buy AN-758/13663016?
You can request a quote for AN-758/13663016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-758/13663016?
Yes, KEHONG BIO provides custom synthesis services for AN-758/13663016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.