A1681/0071749
TL;DR: A1681/0071749 (CAS 312265-31-9) is a chemical compound with molecular formula C23H15N5O7S and molecular weight 505.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-5-amino-6-cyano-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: A1681/0071749, (E)-methyl 5-amino-6-cyano-2-(3-nitrobenzylidene)-7-(3-nitrophenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, METHYL (2E)-5-AMINO-6-CYANO-7-(3-NITROPHENYL)-2-[(3-NITROPHENYL)METHYLIDENE]-3-OXO-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-8-CARBOXYLATE, methyl (2E)-5-amino-6-cyano-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C23H15N5O7S |
|---|---|
| Molecular Weight | 505.07 g/mol |
| LogP | 1.32698 |
| Topological Polar Surface Area | 184.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.0692 |
| Heavy Atoms | 36 |
| Complexity | 1711.0759 |
Chemical Identifiers
| CAS Number | 312265-31-9 |
|---|---|
| SMILES | COC(=O)C1=C2N(C(=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C#N)N)C(=O)/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/S2 |
Product Overview
A1681/0071749 (CAS 312265-31-9), with molecular formula C23H15N5O7S and molecular weight 505.07 g/mol. IUPAC: methyl (2E)-5-amino-6-cyano-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of A1681/0071749
Property Insights of A1681/0071749
The XLogP value of 1.32698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1681/0071749. The TPSA of 184.39 Ų indicates high polarity, suggesting A1681/0071749 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A1681/0071749 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1681/0071749?
The CAS number of A1681/0071749 is 312265-31-9.
What is the molecular formula of A1681/0071749?
The molecular formula of A1681/0071749 is C23H15N5O7S.
What is the molecular weight of A1681/0071749?
The molecular weight of A1681/0071749 is 505.07 g/mol.
Where can I buy A1681/0071749?
You can request a quote for A1681/0071749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1681/0071749?
Yes, KEHONG BIO provides custom synthesis services for A1681/0071749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.