pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
TL;DR: pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate (CAS 1008674-58-5) is a chemical compound with molecular formula C20H29NO4 and molecular weight 347.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, pentyl 3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0<1,5>]dec-8-ene-6-carbox ylate
| Molecular Formula | C20H29NO4 |
|---|---|
| Molecular Weight | 347.21 g/mol |
| LogP | 2.8345 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.20966 |
| Heavy Atoms | 25 |
| Complexity | 568.04346 |
Chemical Identifiers
| CAS Number | 1008674-58-5 |
|---|---|
| SMILES | CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4CCCCC4)O2 |
Product Overview
pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate (CAS 1008674-58-5), with molecular formula C20H29NO4 and molecular weight 347.21 g/mol. IUPAC: pentyl 3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
Chemical Property Profile of pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Property Insights of pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
The XLogP value of 2.8345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate 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 pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate?
The CAS number of pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate is 1008674-58-5.
What is the molecular formula of pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate?
The molecular formula of pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate is C20H29NO4.
What is the molecular weight of pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate?
The molecular weight of pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate is 347.21 g/mol.
Where can I buy pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate?
You can request a quote for pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for pentyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.