(3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
TL;DR: (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione (CAS 76970-79-1) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: J2.057.567K, 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-2-(2-propenyl)-, (3aalpha,4beta,7beta,7aalpha)-, (1R,2S,6R,7S)-2,6-dimethyl-4-(prop-2-en-1-yl)-10-oxa-4-azatricyclo[5.2.1.02,6]decane-3,5-dione, (3aR)-2-Allyl-3a,4,5,6,7,7a-hexahydro-3aalpha,7aalpha-dimethyl-4beta,7beta-epoxy-2H-isoindole-1,3-dione
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 76970-79-1 |
|---|---|
| SMILES | C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)N(C2=O)CC=C)C)O3 |
| InChIKey | ZNCZKJWAJMAMLF-JDNZLRHBSA-N |
Product Overview
(3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione (CAS 76970-79-1), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
Property Insights of (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione. With a topological polar surface area (TPSA) of 46.6 Ų, (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione 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 (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione?
The CAS number of (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione is 76970-79-1.
What is the molecular formula of (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione?
The molecular formula of (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione is C13H17NO3.
What is the molecular weight of (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione?
The molecular weight of (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione is 235.12 g/mol.
Where can I buy (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione?
You can request a quote for (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-prop-2-enyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.