![3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one structure](/static/products/331/331416-83-2.png)
3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
TL;DR: 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one (CAS 331416-83-2) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylbenzoyl)spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one
Also Known As: BAS 00388406, 3-(4-methylbenzoyl)spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one, 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one, 3-[(4-methylphenyl)carbonyl]spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 4.33042 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 819.28973 |
Chemical Identifiers
| CAS Number | 331416-83-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C(=O)C3=CC=CC=C3OC24CCCCC4 |
Product Overview
3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one (CAS 331416-83-2), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: 3-(4-methylbenzoyl)spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one.
Chemical Property Profile of 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
Property Insights of 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
The XLogP value of 4.33042 indicates that 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 3-(4-methylbenzoyl)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, 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one has 0 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 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one?
The CAS number of 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one is 331416-83-2.
What is the molecular formula of 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one?
The molecular formula of 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one is C21H21NO3.
What is the molecular weight of 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one?
The molecular weight of 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one is 335.15 g/mol.
Where can I buy 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one?
You can request a quote for 3-(4-methylbenzoyl)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 3-(4-methylbenzoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylbenzoyl)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.