4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
TL;DR: 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 700853-74-3) is a chemical compound with molecular formula C18H12N2O7 and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) 6-nitro-2-oxochromene-3-carboxylate
Also Known As: BAS 07243984, 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate, (4-acetamidophenyl) 6-nitro-2-oxochromene-3-carboxylate, 4-(acetylamino)phenyl 6-nitro-2-oxochromene-3-carboxylate, F1695-0047
| Molecular Formula | C18H12N2O7 |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 2.8788 |
| Topological Polar Surface Area | 128.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.06445 |
| Heavy Atoms | 27 |
| Complexity | 1116.7534 |
Chemical Identifiers
| CAS Number | 700853-74-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O |
Product Overview
4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 700853-74-3), with molecular formula C18H12N2O7 and molecular weight 368.06 g/mol. IUPAC: (4-acetamidophenyl) 6-nitro-2-oxochromene-3-carboxylate.
Chemical Property Profile of 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
Property Insights of 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 2.8788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate. The TPSA of 128.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The CAS number of 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is 700853-74-3.
What is the molecular formula of 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is C18H12N2O7.
What is the molecular weight of 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is 368.06 g/mol.
Where can I buy 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-acetamidophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.