A1586/0068876
TL;DR: A1586/0068876 (CAS 341940-07-6) is a chemical compound with molecular formula C23H17ClI2N2O4S and molecular weight 705.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-5-(4-chlorophenyl)-2-[(2-hydroxy-3,5-diiodophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: A1586/0068876, ethyl 5-(4-chlorophenyl)-2-(2-hydroxy-3,5-diiodobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-5-(4-chlorophenyl)-2-[(2-hydroxy-3,5-diiodophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2E)-5-(4-CHLOROPHENYL)-2-[(2-HYDROXY-3,5-DIIODOPHENYL)METHYLIDENE]-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C23H17ClI2N2O4S |
|---|---|
| Molecular Weight | 705.87 g/mol |
| LogP | 4.3665 |
| Topological Polar Surface Area | 80.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 705.8687 |
| Heavy Atoms | 33 |
| Complexity | 1475.7959 |
Chemical Identifiers
| CAS Number | 341940-07-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C\C4=C(C(=CC(=C4)I)I)O)/S2)C |
Product Overview
A1586/0068876 (CAS 341940-07-6), with molecular formula C23H17ClI2N2O4S and molecular weight 705.87 g/mol. IUPAC: ethyl (2E)-5-(4-chlorophenyl)-2-[(2-hydroxy-3,5-diiodophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of A1586/0068876
Property Insights of A1586/0068876
The XLogP value of 4.3665 indicates that A1586/0068876 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A1586/0068876. Following Lipinski's Rule of Five, A1586/0068876 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1586/0068876?
The CAS number of A1586/0068876 is 341940-07-6.
What is the molecular formula of A1586/0068876?
The molecular formula of A1586/0068876 is C23H17ClI2N2O4S.
What is the molecular weight of A1586/0068876?
The molecular weight of A1586/0068876 is 705.87 g/mol.
Where can I buy A1586/0068876?
You can request a quote for A1586/0068876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1586/0068876?
Yes, KEHONG BIO provides custom synthesis services for A1586/0068876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.