Arbusculin C
TL;DR: Arbusculin C (CAS 33530-71-1) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,5aR,9aR,9bS)-9a-hydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Also Known As: Arbusculin C, (3aS,5aR,9aR,9bS)-9a-hydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one, (3aS)-3abeta,4,5,5a,6,7,8,9,9a,9balpha-Decahydro-9abeta-hydroxy-5aalpha-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one, (3aS,5aR,9aR,9bS)-9a-hydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo(g)(1)benzofuran-2-one, (3aS,5aR,9aR,9bS)-9a-hydroxy-5a-methyl-3,9-dimethylidene-dodecahydronaphtho[1,2-b]furan-2-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 33530-71-1 |
|---|---|
| SMILES | C[C@]12CCCC(=C)[C@@]1([C@@H]3[C@@H](CC2)C(=C)C(=O)O3)O |
| InChIKey | NCECWMQYVUVUKL-VIRABCJISA-N |
Product Overview
Arbusculin C (CAS 33530-71-1), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (3aS,5aR,9aR,9bS)-9a-hydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one.
Chemical Property Profile of Arbusculin C
Property Insights of Arbusculin C
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arbusculin C. With a topological polar surface area (TPSA) of 46.5 Ų, Arbusculin C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arbusculin C has 1 hydrogen bond donor(s) and 3 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 Arbusculin C?
The CAS number of Arbusculin C is 33530-71-1.
What is the molecular formula of Arbusculin C?
The molecular formula of Arbusculin C is C15H20O3.
What is the molecular weight of Arbusculin C?
The molecular weight of Arbusculin C is 248.14 g/mol.
Where can I buy Arbusculin C?
You can request a quote for Arbusculin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arbusculin C?
Yes, KEHONG BIO provides custom synthesis services for Arbusculin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.