Isohelenalin
TL;DR: Isohelenalin (CAS 5442-23-9) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,5R,5aR,8aR,9S)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3aH-azuleno[6,7-b]furan-2,8-dione
Also Known As: Isohelenalin, (4s,4ar,7ar,8r,9ar)-4-hydroxy-3,4a,8-trimethyl-4,4a,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2,5-dione, (3aR,5R,5aR,8aR,9S)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3aH-azuleno[6,7-b]furan-2,8-dione, Azuleno(6,5-b)furan-2,5-dione, 4,4a,7a,8,9,9a-hexahydro-4-hydroxy-3,4a,8-trimethyl-, (4S-(4alpha,4abeta,7aalpha,8alpha,9aalpha))-, (3aR,5R,5aR,8aR,9S)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3aH-azuleno(6,7-b)furan-2,8-dione
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 5442-23-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2C(=C(C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)O |
| InChIKey | MXDBSOSHFBRRIJ-JMLQNSIWSA-N |
Product Overview
Isohelenalin (CAS 5442-23-9), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: (3aR,5R,5aR,8aR,9S)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3aH-azuleno[6,7-b]furan-2,8-dione.
Chemical Property Profile of Isohelenalin
Property Insights of Isohelenalin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isohelenalin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isohelenalin. Following Lipinski's Rule of Five, Isohelenalin has 1 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 Isohelenalin?
The CAS number of Isohelenalin is 5442-23-9.
What is the molecular formula of Isohelenalin?
The molecular formula of Isohelenalin is C15H18O4.
What is the molecular weight of Isohelenalin?
The molecular weight of Isohelenalin is 262.12 g/mol.
Where can I buy Isohelenalin?
You can request a quote for Isohelenalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isohelenalin?
Yes, KEHONG BIO provides custom synthesis services for Isohelenalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.