4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid
TL;DR: 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid (CAS 879040-95-6) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-oxo-1,4-benzoxazin-4-yl)butanoic acid
Also Known As: 4-(3-oxo-1,4-benzoxazin-4-yl)butanoic acid, ASN 14122703, 4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanoic acid, 4-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid, 4-(2,3-DIHYDRO-3-OXOBENZO[B][1,4]OXAZIN-4-YL)BUTANOIC ACID
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.2768 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 443.8867 |
Chemical Identifiers
| CAS Number | 879040-95-6 |
|---|---|
| SMILES | C1C(=O)N(C2=CC=CC=C2O1)CCCC(=O)O |
Product Overview
4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid (CAS 879040-95-6), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 4-(3-oxo-1,4-benzoxazin-4-yl)butanoic acid.
Chemical Property Profile of 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid
Property Insights of 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid
The XLogP value of 1.2768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid has 1 hydrogen bond donor(s) and 3 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-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid?
The CAS number of 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid is 879040-95-6.
What is the molecular formula of 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid?
The molecular formula of 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid is C12H13NO4.
What is the molecular weight of 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid?
The molecular weight of 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid is 235.08 g/mol.
Where can I buy 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid?
You can request a quote for 4-(3-Oxo-1,4-benzoxazin-4-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-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Oxo-1,4-benzoxazin-4-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.