![1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one structure](/static/products/7777/77773-95-6.webp)
1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
TL;DR: 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one (CAS 77773-95-6) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-methylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
Also Known As: 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-methyl-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one, 1'-methylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one, 1'-Methylspiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one, 1'-methylspiro[10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene-9,4'-piperidine]-7-one
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.2307 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 450.4876 |
Chemical Identifiers
| CAS Number | 77773-95-6 |
|---|---|
| SMILES | CN1CCC2(CC1)NC(=O)C3=CC=CC=C3O2 |
Product Overview
1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one (CAS 77773-95-6), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 1'-methylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
Chemical Property Profile of 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
Property Insights of 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
The XLogP value of 1.2307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one. With a topological polar surface area (TPSA) of 41.57 Ų, 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one 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 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
The CAS number of 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one is 77773-95-6.
What is the molecular formula of 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
The molecular formula of 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one is C13H16N2O2.
What is the molecular weight of 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
The molecular weight of 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one is 232.12 g/mol.
Where can I buy 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
You can request a quote for 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-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 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1'-methylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.