(3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid
TL;DR: (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid (CAS 5974-80-1) is a chemical compound with molecular formula C11H8N2O6 and molecular weight 264.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid
Also Known As: BIM-0039141.P001, (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid, (3E)-3-(7-Nitro-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)propanoic acid, 3-(7-nitro-2-oxo-4H-benzo[e]1,4-oxazaperhydroin-3-ylidene)propanoic acid, 3-[7-NITRO-2-OXO-2H-1,4-BENZOXAZIN-3(4H)-YLIDEN]PROPANOIC ACID
| Molecular Formula | C11H8N2O6 |
|---|---|
| Molecular Weight | 264.04 g/mol |
| LogP | 1.2843 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.03824 |
| Heavy Atoms | 19 |
| Complexity | 607.203 |
Chemical Identifiers
| CAS Number | 5974-80-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)/C(=C\CC(=O)O)/N2 |
Product Overview
(3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid (CAS 5974-80-1), with molecular formula C11H8N2O6 and molecular weight 264.04 g/mol. IUPAC: (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid.
Chemical Property Profile of (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid
Property Insights of (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid
The XLogP value of 1.2843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid. Following Lipinski's Rule of Five, (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid has 2 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 (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid?
The CAS number of (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid is 5974-80-1.
What is the molecular formula of (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid?
The molecular formula of (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid is C11H8N2O6.
What is the molecular weight of (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid?
The molecular weight of (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid is 264.04 g/mol.
Where can I buy (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid?
You can request a quote for (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.