A1681/0071752
TL;DR: A1681/0071752 (CAS 313381-99-6) is a chemical compound with molecular formula C25H20Cl2N2O5S and molecular weight 530.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-O-ethyl 6-O-methyl (2Z)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Also Known As: A1681/0071752, (Z)-8-ethyl 6-methyl 5-amino-2-(4-chlorobenzylidene)-7-(4-chlorophenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate, 8-ethyl 6-methyl (2Z)-5-amino-2-(4-chlorobenzylidene)-7-(4-chlorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate, 8-ETHYL 6-METHYL (2Z)-5-AMINO-7-(4-CHLOROPHENYL)-2-[(4-CHLOROPHENYL)METHYLIDENE]-3-OXO-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-6,8-DICARBOXYLATE, 8-O-ethyl 6-O-methyl (2Z)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
| Molecular Formula | C25H20Cl2N2O5S |
|---|---|
| Molecular Weight | 530.05 g/mol |
| LogP | 2.8569 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 530.047 |
| Heavy Atoms | 35 |
| Complexity | 1519.7186 |
Chemical Identifiers
| CAS Number | 313381-99-6 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC=C(C=C3)Cl)C(=O)OC)N)C(=O)/C(=C/C4=CC=C(C=C4)Cl)/S2 |
Product Overview
A1681/0071752 (CAS 313381-99-6), with molecular formula C25H20Cl2N2O5S and molecular weight 530.05 g/mol. IUPAC: 8-O-ethyl 6-O-methyl (2Z)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.
Chemical Property Profile of A1681/0071752
Property Insights of A1681/0071752
The XLogP value of 2.8569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1681/0071752. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for A1681/0071752. Following Lipinski's Rule of Five, A1681/0071752 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1681/0071752?
The CAS number of A1681/0071752 is 313381-99-6.
What is the molecular formula of A1681/0071752?
The molecular formula of A1681/0071752 is C25H20Cl2N2O5S.
What is the molecular weight of A1681/0071752?
The molecular weight of A1681/0071752 is 530.05 g/mol.
Where can I buy A1681/0071752?
You can request a quote for A1681/0071752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1681/0071752?
Yes, KEHONG BIO provides custom synthesis services for A1681/0071752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.