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6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
TL;DR: 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one (CAS 111423-09-7) is a chemical compound with molecular formula C17H12N4O2 and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-anilino-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
Also Known As: AO-095/42800802, 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one, 1-Phenyl-6-(phenylamino)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one, 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-one
| Molecular Formula | C17H12N4O2 |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 3.1173 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.09604 |
| Heavy Atoms | 23 |
| Complexity | 1007.14014 |
Chemical Identifiers
| CAS Number | 111423-09-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2 |
Product Overview
6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one (CAS 111423-09-7), with molecular formula C17H12N4O2 and molecular weight 304.10 g/mol. IUPAC: 6-anilino-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.
Chemical Property Profile of 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
Property Insights of 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
The XLogP value of 3.1173 indicates that 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one. Following Lipinski's Rule of Five, 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one 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 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one?
The CAS number of 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one is 111423-09-7.
What is the molecular formula of 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one?
The molecular formula of 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one is C17H12N4O2.
What is the molecular weight of 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one?
The molecular weight of 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one is 304.10 g/mol.
Where can I buy 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one?
You can request a quote for 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-anilino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.