![1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one structure](/static/products/5490/54906-22-8.webp)
1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
TL;DR: 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one (CAS 54906-22-8) is a chemical compound with molecular formula C19H20N2O2 and molecular weight 308.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-benzylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
Also Known As: Maybridge1_007500, 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-benzylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one, Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-(phenylmethyl)-, 1'-benzyl-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-4-one
| Molecular Formula | C19H20N2O2 |
|---|---|
| Molecular Weight | 308.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.15247 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 54906-22-8 |
|---|---|
| SMILES | C1CN(CCC12NC(=O)C3=CC=CC=C3O2)CC4=CC=CC=C4 |
| InChIKey | NMFAHOKVZJFMHP-UHFFFAOYSA-N |
Product Overview
1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one (CAS 54906-22-8), with molecular formula C19H20N2O2 and molecular weight 308.15 g/mol. IUPAC: 1'-benzylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
Chemical Property Profile of 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
Property Insights of 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one. With a topological polar surface area (TPSA) of 41.6 Ų, 1'-benzylspiro[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'-benzylspiro[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'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
The CAS number of 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one is 54906-22-8.
What is the molecular formula of 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
The molecular formula of 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one is C19H20N2O2.
What is the molecular weight of 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
The molecular weight of 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one is 308.15 g/mol.
Where can I buy 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
You can request a quote for 1'-benzylspiro[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'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.