Arbusculin A
TL;DR: Arbusculin A (CAS 10147-53-2) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,5aR,9R,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Also Known As: Arbusculin A, 4-epiarbusculin A, ARBUSCULIN-A, (+)-ARBUSCULIN A, KST-1A3886
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 10147-53-2 |
|---|---|
| SMILES | C[C@]12CCC[C@@]([C@@H]1[C@@H]3[C@@H](CC2)C(=C)C(=O)O3)(C)O |
| InChIKey | BVRDNJZFYKHRJQ-CWFCOSEVSA-N |
Product Overview
Arbusculin A (CAS 10147-53-2), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: (3aS,5aR,9R,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one.
Chemical Property Profile of Arbusculin A
Property Insights of Arbusculin A
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arbusculin A. With a topological polar surface area (TPSA) of 46.5 Ų, Arbusculin A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arbusculin A 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 A?
The CAS number of Arbusculin A is 10147-53-2.
What is the molecular formula of Arbusculin A?
The molecular formula of Arbusculin A is C15H22O3.
What is the molecular weight of Arbusculin A?
The molecular weight of Arbusculin A is 250.16 g/mol.
Where can I buy Arbusculin A?
You can request a quote for Arbusculin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arbusculin A?
Yes, KEHONG BIO provides custom synthesis services for Arbusculin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.