A1681/0071745
TL;DR: A1681/0071745 (CAS 312265-29-5) is a chemical compound with molecular formula C26H24N2O7S and molecular weight 508.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2Z)-5-amino-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Also Known As: A1681/0071745, (Z)-dimethyl 5-amino-2-(2-methoxybenzylidene)-7-(2-methoxyphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate, dimethyl (2Z)-5-amino-2-(2-methoxybenzylidene)-7-(2-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate, dimethyl (2Z)-5-amino-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
| Molecular Formula | C26H24N2O7S |
|---|---|
| Molecular Weight | 508.13 g/mol |
| LogP | 1.1772 |
| Topological Polar Surface Area | 119.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.13043 |
| Heavy Atoms | 36 |
| Complexity | 1565.2833 |
Chemical Identifiers
| CAS Number | 312265-29-5 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C(=O)OC)C4=CC=CC=C4OC)C(=O)OC)N |
Product Overview
A1681/0071745 (CAS 312265-29-5), with molecular formula C26H24N2O7S and molecular weight 508.13 g/mol. IUPAC: dimethyl (2Z)-5-amino-7-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.
Chemical Property Profile of A1681/0071745
Property Insights of A1681/0071745
The XLogP value of 1.1772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1681/0071745. The TPSA of 119.08 Ų falls within the moderate polarity range, balancing permeability and solubility for A1681/0071745. Following Lipinski's Rule of Five, A1681/0071745 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1681/0071745?
The CAS number of A1681/0071745 is 312265-29-5.
What is the molecular formula of A1681/0071745?
The molecular formula of A1681/0071745 is C26H24N2O7S.
What is the molecular weight of A1681/0071745?
The molecular weight of A1681/0071745 is 508.13 g/mol.
Where can I buy A1681/0071745?
You can request a quote for A1681/0071745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1681/0071745?
Yes, KEHONG BIO provides custom synthesis services for A1681/0071745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.