![(5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine structure](/static/products/817/81795-59-7.png)
(5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine
TL;DR: (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine (CAS 81795-59-7) is a chemical compound with molecular formula C11H21NO2 and molecular weight 199.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine
Also Known As: (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine, (5aS,8aS)-5-Butylhexahydro-2H,4H-cyclopenta[f][1,3,5]dioxazepine
| Molecular Formula | C11H21NO2 |
|---|---|
| Molecular Weight | 199.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.15723 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 81795-59-7 |
|---|---|
| SMILES | CCCCN1COCO[C@@H]2[C@@H]1CCC2 |
| InChIKey | YYHBBFDCCJAAOI-QWRGUYRKSA-N |
Product Overview
(5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine (CAS 81795-59-7), with molecular formula C11H21NO2 and molecular weight 199.16 g/mol. IUPAC: (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine.
Chemical Property Profile of (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine
Property Insights of (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine. With a topological polar surface area (TPSA) of 21.7 Ų, (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine has 0 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 (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine?
The CAS number of (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine is 81795-59-7.
What is the molecular formula of (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine?
The molecular formula of (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine is C11H21NO2.
What is the molecular weight of (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine?
The molecular weight of (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine is 199.16 g/mol.
Where can I buy (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine?
You can request a quote for (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine?
Yes, KEHONG BIO provides custom synthesis services for (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.