A1681/0071744
TL;DR: A1681/0071744 (CAS 312265-28-4) is a chemical compound with molecular formula C23H15Cl2N3O3S and molecular weight 483.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: A1681/0071744, (E)-methyl 5-amino-2-(2-chlorobenzylidene)-7-(2-chlorophenyl)-6-cyano-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, METHYL (2E)-5-AMINO-7-(2-CHLOROPHENYL)-2-[(2-CHLOROPHENYL)METHYLIDENE]-6-CYANO-3-OXO-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-8-CARBOXYLATE, methyl (2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C23H15Cl2N3O3S |
|---|---|
| Molecular Weight | 483.02 g/mol |
| LogP | 2.81738 |
| Topological Polar Surface Area | 98.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 483.02112 |
| Heavy Atoms | 32 |
| Complexity | 1512.1543 |
Chemical Identifiers
| CAS Number | 312265-28-4 |
|---|---|
| SMILES | COC(=O)C1=C2N(C(=C(C1C3=CC=CC=C3Cl)C#N)N)C(=O)/C(=C\C4=CC=CC=C4Cl)/S2 |
Product Overview
A1681/0071744 (CAS 312265-28-4), with molecular formula C23H15Cl2N3O3S and molecular weight 483.02 g/mol. IUPAC: methyl (2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of A1681/0071744
Property Insights of A1681/0071744
The XLogP value of 2.81738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1681/0071744. The TPSA of 98.11 Ų falls within the moderate polarity range, balancing permeability and solubility for A1681/0071744. Following Lipinski's Rule of Five, A1681/0071744 has 1 hydrogen bond donor(s) and 6 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 A1681/0071744?
The CAS number of A1681/0071744 is 312265-28-4.
What is the molecular formula of A1681/0071744?
The molecular formula of A1681/0071744 is C23H15Cl2N3O3S.
What is the molecular weight of A1681/0071744?
The molecular weight of A1681/0071744 is 483.02 g/mol.
Where can I buy A1681/0071744?
You can request a quote for A1681/0071744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1681/0071744?
Yes, KEHONG BIO provides custom synthesis services for A1681/0071744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.