![3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid structure](/static/products/866/866137-48-6.png)
3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid
TL;DR: 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid (CAS 866137-48-6) is a chemical compound with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]but-2-enoic acid
Also Known As: 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid, (E)-4-oxo-4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)amino]-2-butenoic acid, 4-oxo-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]but-2-enoic acid, 3-[(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-3-yl)carbamoyl]prop-2-enoic Acid
| Molecular Formula | C12H10N2O5 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 0.5968 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.05896 |
| Heavy Atoms | 19 |
| Complexity | 579.48254 |
Chemical Identifiers
| CAS Number | 866137-48-6 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C=CC(=O)O |
Product Overview
3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid (CAS 866137-48-6), with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol. IUPAC: 4-oxo-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]but-2-enoic acid.
Chemical Property Profile of 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid
Property Insights of 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid
The XLogP value of 0.5968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid has 3 hydrogen bond donor(s) and 4 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 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid?
The CAS number of 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid is 866137-48-6.
What is the molecular formula of 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid?
The molecular formula of 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid is C12H10N2O5.
What is the molecular weight of 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid?
The molecular weight of 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid is 262.06 g/mol.
Where can I buy 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid?
You can request a quote for 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.