![(3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate structure](/static/products/956/956777-76-7.png)
(3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate
TL;DR: (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate (CAS 956777-76-7) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-yl] benzoate
Also Known As: (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate, (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydrocyclopropa[4,5]cyclopenta[1,2-d][1,2]oxazol-5a(3aH)-yl benzoate
| Molecular Formula | C17H19NO3 |
|---|---|
| Molecular Weight | 285.14 g/mol |
| LogP | 3.2379 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.1365 |
| Heavy Atoms | 21 |
| Complexity | 636.6951 |
Chemical Identifiers
| CAS Number | 956777-76-7 |
|---|---|
| SMILES | CC1=NO[C@]2([C@@H]1[C@H]3[C@@H](C2)C3(C)C)OC(=O)C4=CC=CC=C4 |
Product Overview
(3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate (CAS 956777-76-7), with molecular formula C17H19NO3 and molecular weight 285.14 g/mol. IUPAC: [(1R,2R,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-yl] benzoate.
Chemical Property Profile of (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate
Property Insights of (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate
The XLogP value of 3.2379 indicates that (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.89 Ų, (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate has 0 hydrogen bond donor(s) and 4 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,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate?
The CAS number of (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate is 956777-76-7.
What is the molecular formula of (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate?
The molecular formula of (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate is C17H19NO3.
What is the molecular weight of (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate?
The molecular weight of (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate is 285.14 g/mol.
Where can I buy (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate?
You can request a quote for (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydrocyclopropa[4,5]cyclopenta[1,2-d]isoxazol-5a-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.