![3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala structure](/static/products/5216/52165-40-9.webp)
3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala
TL;DR: 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala (CAS 52165-40-9) is a chemical compound with molecular formula C22H23N3O3 and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthalazine-1,1'-cyclohexane]-6,11-dione
Also Known As: 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala, 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthalazine-1,1'-cyclohexane]-6,11-dione, 3'-Methyl-4'-phenyl-3',4'-dihydrospiro[cyclohexane-1,1'-[1,2,4,5]oxatriazino[4,5-b]phthalazine]-6',11'-dione
| Molecular Formula | C22H23N3O3 |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 377.17395 |
| Heavy Atoms | 28 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 52165-40-9 |
|---|---|
| SMILES | CN1C(N2C(=O)C3=CC=CC=C3C(=O)N2C4(O1)CCCCC4)C5=CC=CC=C5 |
| InChIKey | FWWVWEUNDFFHFP-UHFFFAOYSA-N |
Product Overview
3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala (CAS 52165-40-9), with molecular formula C22H23N3O3 and molecular weight 377.17 g/mol. IUPAC: 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthalazine-1,1'-cyclohexane]-6,11-dione.
Chemical Property Profile of 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala
Property Insights of 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala
The XLogP value of 4.0 indicates that 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala has 0 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-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala?
The CAS number of 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala is 52165-40-9.
What is the molecular formula of 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala?
The molecular formula of 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala is C22H23N3O3.
What is the molecular weight of 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala?
The molecular weight of 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala is 377.17 g/mol.
Where can I buy 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala?
You can request a quote for 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-phenylspiro[4H-[1,2,4,5]oxatriazino[5,4-b]phthala and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.