![1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate structure](/static/products/7440/74403-82-0.webp)
1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate
TL;DR: 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate (CAS 74403-82-0) is a chemical compound with molecular formula C22H23NO5 and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'-acetyl-5-hydroxyspiro[benzo[b][1]benzoxepine-6,4'-piperidine]-5-yl) acetate
Also Known As: 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate, Spiro(dibenz(b,f)oxepin-10(11H),4'-piperidine)-11,11-diol, 1'-acetyl-, monoacetate (ester), (1'-acetyl-5-hydroxyspiro[benzo[b][1]benzoxepine-6,4'-piperidine]-5-yl) acetate, (1'-ethanoyl-5-oxidanyl-spiro[benzo[b][1]benzoxepine-6,4'-piperidine]-5-yl) ethanoate
| Molecular Formula | C22H23NO5 |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.15762 |
| Heavy Atoms | 28 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 74403-82-0 |
|---|---|
| SMILES | CC(=O)N1CCC2(CC1)C3=CC=CC=C3OC4=CC=CC=C4C2(O)OC(=O)C |
| InChIKey | BHUZZRDATFGITA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate (CAS 74403-82-0), with molecular formula C22H23NO5 and molecular weight 381.16 g/mol. IUPAC: (1'-acetyl-5-hydroxyspiro[benzo[b][1]benzoxepine-6,4'-piperidine]-5-yl) acetate.
Chemical Property Profile of 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate
Property Insights of 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate. Following Lipinski's Rule of Five, 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate has 1 hydrogen bond donor(s) and 5 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'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate?
The CAS number of 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate is 74403-82-0.
What is the molecular formula of 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate?
The molecular formula of 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate is C22H23NO5.
What is the molecular weight of 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate?
The molecular weight of 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate is 381.16 g/mol.
Where can I buy 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate?
You can request a quote for 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1'-acetyl-11-hydroxy-11H-spiro[dibenzo[b,f]oxepine-10,4'-piperidin]-11-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.