Isohelenol
TL;DR: Isohelenol (CAS 71013-32-6) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 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-(hydroxymethyl)-5,8a-dimethyl-4,5,5a,9-tetrahydro-3aH-azuleno[6,7-b]furan-2,8-dione
Also Known As: Isohelenol, J2.770.062D, (3aR,5R,5aR,8aR,9S)-9-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-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-(hydroxymethyl)-4a,8-dimethyl-, (4S-(4alpha,4abeta,7aalpha,8alpha,9aalpha))-, (3aR,5R,5aR,8aR,9S)-9-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-4,5,5a,9-tetrahydro-3aH-azuleno(6,7-b)furan-2,8-dione
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 71013-32-6 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2C(=C(C(=O)O2)CO)[C@@H]([C@]3([C@H]1C=CC3=O)C)O |
| InChIKey | HNDYFBSTNFZJEB-JMLQNSIWSA-N |
Product Overview
Isohelenol (CAS 71013-32-6), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: (3aR,5R,5aR,8aR,9S)-9-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-4,5,5a,9-tetrahydro-3aH-azuleno[6,7-b]furan-2,8-dione.
Chemical Property Profile of Isohelenol
Property Insights of Isohelenol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isohelenol. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isohelenol. Following Lipinski's Rule of Five, Isohelenol has 2 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 Isohelenol?
The CAS number of Isohelenol is 71013-32-6.
What is the molecular formula of Isohelenol?
The molecular formula of Isohelenol is C15H18O5.
What is the molecular weight of Isohelenol?
The molecular weight of Isohelenol is 278.12 g/mol.
Where can I buy Isohelenol?
You can request a quote for Isohelenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isohelenol?
Yes, KEHONG BIO provides custom synthesis services for Isohelenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.