Fargesone A
TL;DR: Fargesone A (CAS 116424-69-2) is a chemical compound with molecular formula C21H24O6 and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,3aR,7S,7aS)-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-7-prop-2-enyl-2,3,7,7a-tetrahydro-1-benzofuran-6-one
Also Known As: Fargesone A, Fargesone B, J2.133.856G, (2S,3R,3aR,7S,7aS)-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-7-prop-2-enyl-2,3,7,7a-tetrahydro-1-benzofuran-6-one, (2S,3R,3aR,7S,7aS)-7-allyl-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-2,3,7,7a-tetrahydrobenzofuran-6-one
| Molecular Formula | C21H24O6 |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.1573 |
| Heavy Atoms | 27 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 116424-69-2 |
|---|---|
| SMILES | C[C@@H]1[C@H](O[C@@H]2[C@]1(C(=CC(=O)[C@H]2CC=C)OC)OC)C3=CC4=C(C=C3)OCO4 |
| InChIKey | COELSLLVNMRXHB-KYIFXELVSA-N |
Product Overview
Fargesone A (CAS 116424-69-2), with molecular formula C21H24O6 and molecular weight 372.16 g/mol. IUPAC: (2S,3R,3aR,7S,7aS)-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-7-prop-2-enyl-2,3,7,7a-tetrahydro-1-benzofuran-6-one.
Chemical Property Profile of Fargesone A
Property Insights of Fargesone A
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fargesone A. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Fargesone A. Following Lipinski's Rule of Five, Fargesone A has 0 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 Fargesone A?
The CAS number of Fargesone A is 116424-69-2.
What is the molecular formula of Fargesone A?
The molecular formula of Fargesone A is C21H24O6.
What is the molecular weight of Fargesone A?
The molecular weight of Fargesone A is 372.16 g/mol.
Where can I buy Fargesone A?
You can request a quote for Fargesone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fargesone A?
Yes, KEHONG BIO provides custom synthesis services for Fargesone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.