4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid
TL;DR: 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid (CAS 42142-70-1) is a chemical compound with molecular formula C11H10N2O6 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid
Also Known As: 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid, 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid, 3(2H)-Benzoxazolebutanoicacid, 6-nitro-2-oxo-, 2-methyl-3-(methylamino)propan-1-ol, 4-(6-nitro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)butanoic acid
| Molecular Formula | C11H10N2O6 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 1.3675 |
| Topological Polar Surface Area | 115.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.0539 |
| Heavy Atoms | 19 |
| Complexity | 698.7636 |
Chemical Identifiers
| CAS Number | 42142-70-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=O)O |
Product Overview
4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid (CAS 42142-70-1), with molecular formula C11H10N2O6 and molecular weight 266.05 g/mol. IUPAC: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid.
Chemical Property Profile of 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid
Property Insights of 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid
The XLogP value of 1.3675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid. The TPSA of 115.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid has 1 hydrogen bond donor(s) and 5 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-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid?
The CAS number of 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid is 42142-70-1.
What is the molecular formula of 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid?
The molecular formula of 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid is C11H10N2O6.
What is the molecular weight of 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid?
The molecular weight of 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid is 266.05 g/mol.
Where can I buy 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid?
You can request a quote for 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.