Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-
TL;DR: Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)- (CAS 85732-25-8) is a chemical compound with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Also Known As: Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-, 1'-[2-(3,4-Dimethoxyphenyl)-2-hydroxyethyl]spiro[[3,1]benzoxazine-4,4'-piperidin]-2-ol, 1'-[2-(3,4-Dimethoxyphenyl)-2-hydroxyethyl]spiro[3,1-benzoxazine-4,4'-piperidin]-2-ol, 1'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one, RefChem:380893
| Molecular Formula | C22H26N2O5 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 3.2906 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.18417 |
| Heavy Atoms | 29 |
| Complexity | 892.5214 |
Chemical Identifiers
| CAS Number | 85732-25-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(CN2CCC3(CC2)C4=CC=CC=C4NC(=O)O3)O)OC |
Product Overview
Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)- (CAS 85732-25-8), with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol. IUPAC: 1'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.
Chemical Property Profile of Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-
Property Insights of Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-
The XLogP value of 3.2906 indicates that Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-. Following Lipinski's Rule of Five, Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)- has 2 hydrogen bond donor(s) and 6 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(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-?
The CAS number of Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)- is 85732-25-8.
What is the molecular formula of Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-?
The molecular formula of Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)- is C22H26N2O5.
What is the molecular weight of Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-?
The molecular weight of Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)- is 398.18 g/mol.
Where can I buy Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-?
You can request a quote for Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(4H-3,1-benzoxazine-4,4'-piperidin)-2(1H)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.