Isogallicadiol
TL;DR: Isogallicadiol (CAS 129138-11-0) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aS,5aS,6R,9aS,9bS)-6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
Also Known As: Isogallicadiol, (-)-Isogallicadiol, 6,9a-dihydroxy-3,5a-dimethyl-9-methylidenedecahydronaphtho[1,2-b]furan-2(3H)-one, (3S,3abeta,9balpha)-Decahydro-3,5aalpha-dimethyl-6alpha,9aalpha-dihydroxy-9-methylenenaphtho[1,2-b]furan-2(3H)-one, (3S,3aS,5aS,6R,9aS,9bS)-6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 129138-11-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@]3([C@@H](CCC(=C)[C@]3([C@H]2OC1=O)O)O)C |
| InChIKey | CJLHTKGWEUGORV-UVGOUCATSA-N |
Product Overview
Isogallicadiol (CAS 129138-11-0), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: (3S,3aS,5aS,6R,9aS,9bS)-6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one.
Chemical Property Profile of Isogallicadiol
Property Insights of Isogallicadiol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isogallicadiol. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isogallicadiol. Following Lipinski's Rule of Five, Isogallicadiol has 2 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 Isogallicadiol?
The CAS number of Isogallicadiol is 129138-11-0.
What is the molecular formula of Isogallicadiol?
The molecular formula of Isogallicadiol is C15H22O4.
What is the molecular weight of Isogallicadiol?
The molecular weight of Isogallicadiol is 266.15 g/mol.
Where can I buy Isogallicadiol?
You can request a quote for Isogallicadiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isogallicadiol?
Yes, KEHONG BIO provides custom synthesis services for Isogallicadiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.