Oppositol
TL;DR: Oppositol (CAS 50906-52-0) is a chemical compound with molecular formula C15H25BrO and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aS,4R,7S,7aS)-7-bromo-4,7a-dimethyl-3-(2-methylprop-1-enyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
Also Known As: Oppositol, (-)-Oppositol, (3S,3aS,4R,7S,7aS)-7-bromo-4,7a-dimethyl-3-(2-methylprop-1-enyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol, 1H-Inden-4-ol, 7-bromooctahydro-4,7a-dimethyl-3-(2-methyl-1-propenyl)-, (3S-(3alpha,3aalpha,4beta,7beta,7abeta))-, 7-Bromo-4,7a-dimethyl-3-(2-methylprop-1-en-1-yl)octahydro-1H-inden-4-ol
| Molecular Formula | C15H25BrO |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 4.2934 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.1089 |
| Heavy Atoms | 17 |
| Complexity | 329.8135 |
Chemical Identifiers
| CAS Number | 50906-52-0 |
|---|---|
| SMILES | CC(=C[C@@H]1CC[C@]2([C@H]1[C@](CC[C@@H]2Br)(C)O)C)C |
Product Overview
Oppositol (CAS 50906-52-0), with molecular formula C15H25BrO and molecular weight 300.11 g/mol. IUPAC: (3S,3aS,4R,7S,7aS)-7-bromo-4,7a-dimethyl-3-(2-methylprop-1-enyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol.
Chemical Property Profile of Oppositol
Property Insights of Oppositol
The XLogP value of 4.2934 indicates that Oppositol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Oppositol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oppositol has 1 hydrogen bond donor(s) and 1 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 Oppositol?
The CAS number of Oppositol is 50906-52-0.
What is the molecular formula of Oppositol?
The molecular formula of Oppositol is C15H25BrO.
What is the molecular weight of Oppositol?
The molecular weight of Oppositol is 300.11 g/mol.
Where can I buy Oppositol?
You can request a quote for Oppositol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oppositol?
Yes, KEHONG BIO provides custom synthesis services for Oppositol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.