ChemDiv1_010206
TL;DR: ChemDiv1_010206 (CAS 430442-92-5) is a chemical compound with molecular formula C24H21N3O7S and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[(2-hydroxy-3-nitrophenyl)methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_010206, AN-698/40716914, ethyl 2-{2-hydroxy-3-nitrobenzylidene}-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2E)-2-[(2-HYDROXY-3-NITROPHENYL)METHYLIDENE]-5-(3-METHOXYPHENYL)-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, ethyl (2E)-2-[(2-hydroxy-3-nitrophenyl)methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C24H21N3O7S |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 2.4207 |
| Topological Polar Surface Area | 133.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.11002 |
| Heavy Atoms | 35 |
| Complexity | 1551.7242 |
Chemical Identifiers
| CAS Number | 430442-92-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)/C(=C\C4=C(C(=CC=C4)[N+](=O)[O-])O)/S2)C |
Product Overview
ChemDiv1_010206 (CAS 430442-92-5), with molecular formula C24H21N3O7S and molecular weight 495.11 g/mol. IUPAC: ethyl (2E)-2-[(2-hydroxy-3-nitrophenyl)methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_010206
Property Insights of ChemDiv1_010206
The XLogP value of 2.4207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010206. The TPSA of 133.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010206. Following Lipinski's Rule of Five, ChemDiv1_010206 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 ChemDiv1_010206?
The CAS number of ChemDiv1_010206 is 430442-92-5.
What is the molecular formula of ChemDiv1_010206?
The molecular formula of ChemDiv1_010206 is C24H21N3O7S.
What is the molecular weight of ChemDiv1_010206?
The molecular weight of ChemDiv1_010206 is 495.11 g/mol.
Where can I buy ChemDiv1_010206?
You can request a quote for ChemDiv1_010206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010206?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.