![Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one structure](/static/products/549/54906-23-9.png)
Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
TL;DR: Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one (CAS 54906-23-9) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
Also Known As: Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, Spiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one, spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one, ASN 12409094, NCI60_022491
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 54906-23-9 |
|---|---|
| SMILES | C1CNCCC12NC(=O)C3=CC=CC=C3O2 |
| InChIKey | XJHSSTMIDVOYQO-UHFFFAOYSA-N |
Product Overview
Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one (CAS 54906-23-9), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
Chemical Property Profile of Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
Property Insights of Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one. With a topological polar surface area (TPSA) of 50.4 Ų, Spiro[2H-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, Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one has 2 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 Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
The CAS number of Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one is 54906-23-9.
What is the molecular formula of Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
The molecular formula of Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one is C12H14N2O2.
What is the molecular weight of Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
The molecular weight of Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one is 218.11 g/mol.
Where can I buy Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
You can request a quote for Spiro[2H-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 Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.