![3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine structure](/static/products/816/81684-48-2.png)
3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine
TL;DR: 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine (CAS 81684-48-2) is a chemical compound with molecular formula C11H21NO and molecular weight 183.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine
Also Known As: 1H-Pyrido[1,3]oxazepine, 3-ethyloctahydro-, 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine, 3-Ethyloctahydro-1H-pyrido[1,2-c][1,3]oxazepine
| Molecular Formula | C11H21NO |
|---|---|
| Molecular Weight | 183.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.16231 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 81684-48-2 |
|---|---|
| SMILES | CCC1CCC2CCCCN2CO1 |
| InChIKey | GCGACVWPPJNUGG-UHFFFAOYSA-N |
Product Overview
3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine (CAS 81684-48-2), with molecular formula C11H21NO and molecular weight 183.16 g/mol. IUPAC: 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine.
Chemical Property Profile of 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine
Property Insights of 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine. With a topological polar surface area (TPSA) of 12.5 Ų, 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine has 0 hydrogen bond donor(s) and 2 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 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine?
The CAS number of 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine is 81684-48-2.
What is the molecular formula of 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine?
The molecular formula of 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine is C11H21NO.
What is the molecular weight of 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine?
The molecular weight of 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine is 183.16 g/mol.
Where can I buy 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine?
You can request a quote for 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.