Irazunolide
TL;DR: Irazunolide (CAS 84743-54-4) is a chemical compound with molecular formula C17H18O5 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4S,5aS,9aR,9bR)-5a-methyl-3,9-dimethylidene-2,8-dioxo-4,5,9a,9b-tetrahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate
Also Known As: Irazunolide, Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 4-(acetyloxy)-3a,5,5a,9,9a,9b-hexahydro-5a-methyl-3,9-bis(methylene)-, (3aR,4S,5aS,9aR,9bR)-, (3aR,4S,5aS,9aR,9bR)-5a-Methyl-3,9-dimethylidene-2,8-dioxo-2,3,3a,4,5,5a,8,9,9a,9b-decahydronaphtho[1,2-b]furan-4-yl acetate, [(3aR,4S,5aS,9aR,9bR)-5a-methyl-3,9-dimethylidene-2,8-dioxo-4,5,9a,9b-tetrahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate, 5a-Methyl-3,9-dimethylidene-2,8-dioxo-2,3,3a,4,5,5a,8,9,9a,9b-decahydronaphtho[1,2-b]furan-4-yl acetate
| Molecular Formula | C17H18O5 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.11542 |
| Heavy Atoms | 22 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 84743-54-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@]2(C=CC(=O)C(=C)[C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)C |
| InChIKey | CAWQZBRZFVTNGL-SOXILONMSA-N |
Product Overview
Irazunolide (CAS 84743-54-4), with molecular formula C17H18O5 and molecular weight 302.12 g/mol. IUPAC: [(3aR,4S,5aS,9aR,9bR)-5a-methyl-3,9-dimethylidene-2,8-dioxo-4,5,9a,9b-tetrahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate.
Chemical Property Profile of Irazunolide
Property Insights of Irazunolide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Irazunolide. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Irazunolide. Following Lipinski's Rule of Five, Irazunolide has 0 hydrogen bond donor(s) and 5 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 Irazunolide?
The CAS number of Irazunolide is 84743-54-4.
What is the molecular formula of Irazunolide?
The molecular formula of Irazunolide is C17H18O5.
What is the molecular weight of Irazunolide?
The molecular weight of Irazunolide is 302.12 g/mol.
Where can I buy Irazunolide?
You can request a quote for Irazunolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irazunolide?
Yes, KEHONG BIO provides custom synthesis services for Irazunolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.