Hydroxyisonobilin
TL;DR: Hydroxyisonobilin (CAS 63549-62-2) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylbut-2-enoate
Also Known As: Hydroxyisonobilin, (7,9-Dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-2-oxocyclodeca(b)furan-4-yl ester
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 63549-62-2 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CC(=C)C(CC(C(=CC2C1C(=C)C(=O)O2)C)O)O |
| InChIKey | SDFKKMBWIQKUOQ-UHFFFAOYSA-N |
Product Overview
Hydroxyisonobilin (CAS 63549-62-2), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: (7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylbut-2-enoate.
Chemical Property Profile of Hydroxyisonobilin
Property Insights of Hydroxyisonobilin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxyisonobilin. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxyisonobilin. Following Lipinski's Rule of Five, Hydroxyisonobilin has 2 hydrogen bond donor(s) and 6 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 Hydroxyisonobilin?
The CAS number of Hydroxyisonobilin is 63549-62-2.
What is the molecular formula of Hydroxyisonobilin?
The molecular formula of Hydroxyisonobilin is C20H26O6.
What is the molecular weight of Hydroxyisonobilin?
The molecular weight of Hydroxyisonobilin is 362.17 g/mol.
Where can I buy Hydroxyisonobilin?
You can request a quote for Hydroxyisonobilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyisonobilin?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyisonobilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.