Aplysinol
TL;DR: Aplysinol (CAS 6790-64-3) is a chemical compound with molecular formula C15H19BrO2 and molecular weight 310.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aS,8bS)-7-bromo-3,6,8b-trimethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-yl]methanol
Also Known As: aplysinol, 3aH-Cyclopenta(b)benzofuran-3a-methanol, 7-bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-, (3alpha,3abeta,8bbeta)-(-)-, 7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta(b)benzofuran-3a-methanol (3alpha,3abeta,8bbeta)-(-)-, (3S)-7-Bromo-1,2,3,8b-tetrahydro-3,6,8bbeta-trimethyl-3aH-cyclopenta[b]benzofuran-3abeta-methanol, (7-Bromo-3,6,8b-trimethyl-1,2,3,8b-tetrahydro-3aH-benzo[b]cyclopenta[d]furan-3a-yl)methanol
| Molecular Formula | C15H19BrO2 |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 3.56862 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.05685 |
| Heavy Atoms | 18 |
| Complexity | 513.4602 |
Chemical Identifiers
| CAS Number | 6790-64-3 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2([C@]1(OC3=C2C=C(C(=C3)C)Br)CO)C |
Product Overview
Aplysinol (CAS 6790-64-3), with molecular formula C15H19BrO2 and molecular weight 310.06 g/mol. IUPAC: [(3S,3aS,8bS)-7-bromo-3,6,8b-trimethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3a-yl]methanol.
Chemical Property Profile of Aplysinol
Property Insights of Aplysinol
The XLogP value of 3.56862 indicates that Aplysinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.46 Ų, Aplysinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aplysinol has 1 hydrogen bond donor(s) and 2 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 Aplysinol?
The CAS number of Aplysinol is 6790-64-3.
What is the molecular formula of Aplysinol?
The molecular formula of Aplysinol is C15H19BrO2.
What is the molecular weight of Aplysinol?
The molecular weight of Aplysinol is 310.06 g/mol.
Where can I buy Aplysinol?
You can request a quote for Aplysinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aplysinol?
Yes, KEHONG BIO provides custom synthesis services for Aplysinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.