![(3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole structure](/static/products/817/81795-66-6.png)
(3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole
TL;DR: (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole (CAS 81795-66-6) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole
Also Known As: (3aR,8aR)-3-Benzyloctahydro-2H-cyclohepta[d][1,3]oxazole, (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole, (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 81795-66-6 |
|---|---|
| SMILES | C1CC[C@@H]2[C@@H](CC1)OCN2CC3=CC=CC=C3 |
| InChIKey | VYAKLPPTHQZAFD-HUUCEWRRSA-N |
Product Overview
(3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole (CAS 81795-66-6), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole.
Chemical Property Profile of (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole
Property Insights of (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole
The XLogP value of 3.4 indicates that (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole 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 (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole?
The CAS number of (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole is 81795-66-6.
What is the molecular formula of (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole?
The molecular formula of (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole is C15H21NO.
What is the molecular weight of (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole?
The molecular weight of (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole is 231.16 g/mol.
Where can I buy (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole?
You can request a quote for (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole?
Yes, KEHONG BIO provides custom synthesis services for (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.