Isoomphadione
TL;DR: Isoomphadione (CAS 489420-87-3) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1aR,4aR,5R,7bS)-3,3,5,7b-tetramethyl-1a,4,4a,5-tetrahydro-1H-cyclopropa[e]azulene-2,6-dione
Also Known As: Isoomphadione, J1.832.181E, (1aR,4aR,5R,7bS)-3,3,5,7b-tetramethyl-1a,4,4a,5-tetrahydro-1H-cyclopropa[e]azulene-2,6-dione, 3,3,5,7b-Tetramethyl-1a,3,4,4a,5,7b-hexahydro-1H-cyclopropa[e]azulene-2,6-dione, (1aR)-1aalpha,4,4abeta,7b-Tetrahydro-3,3,5beta,7balpha-tetramethyl-1H-cyclopropa[e]azulene-2,6(3H,5H)-dione
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 489420-87-3 |
|---|---|
| SMILES | C[C@@H]1[C@H]2CC(C(=O)[C@@H]3C[C@@]3(C2=CC1=O)C)(C)C |
| InChIKey | JMDSVFSLIQKRFD-LIEMUPCESA-N |
Product Overview
Isoomphadione (CAS 489420-87-3), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: (1aR,4aR,5R,7bS)-3,3,5,7b-tetramethyl-1a,4,4a,5-tetrahydro-1H-cyclopropa[e]azulene-2,6-dione.
Chemical Property Profile of Isoomphadione
Property Insights of Isoomphadione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoomphadione. With a topological polar surface area (TPSA) of 34.1 Ų, Isoomphadione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoomphadione 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 Isoomphadione?
The CAS number of Isoomphadione is 489420-87-3.
What is the molecular formula of Isoomphadione?
The molecular formula of Isoomphadione is C15H20O2.
What is the molecular weight of Isoomphadione?
The molecular weight of Isoomphadione is 232.15 g/mol.
Where can I buy Isoomphadione?
You can request a quote for Isoomphadione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoomphadione?
Yes, KEHONG BIO provides custom synthesis services for Isoomphadione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.