![spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one structure](/static/products/4003/40033-95-2.webp)
spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
TL;DR: spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one (CAS 40033-95-2) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
Also Known As: spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one, BAS 00436512, spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one, spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one, spiro[3H-benzo[e]1,3-oxazaperhydroine-2,1'-cyclohexane]-4-one
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 40033-95-2 |
|---|---|
| SMILES | C1CCC2(CC1)NC(=O)C3=CC=CC=C3O2 |
| InChIKey | GMKQOWMDPZAYKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one (CAS 40033-95-2), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one.
Chemical Property Profile of spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
Property Insights of spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one. With a topological polar surface area (TPSA) of 38.3 Ų, spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one has 1 hydrogen bond donor(s) and 2 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 spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one?
The CAS number of spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one is 40033-95-2.
What is the molecular formula of spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one?
The molecular formula of spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one is C13H15NO2.
What is the molecular weight of spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one?
The molecular weight of spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one is 217.11 g/mol.
Where can I buy spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one?
You can request a quote for spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.