Bipolaroxin
TL;DR: Bipolaroxin (CAS 100665-30-3) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R,7S,8R,8aR)-2,7-dihydroxy-8,8a-dimethyl-3-oxo-7,8-dihydro-1H-naphthalen-2-yl]prop-2-enal
Also Known As: Bipolaroxin, Dihydrobipolaroxin, HY-N12651, 2-[(2R,7S,8R,8aR)-2,7-dihydroxy-8,8a-dimethyl-3-oxo-7,8-dihydro-1H-naphthalen-2-yl]prop-2-enal, 2-Naphthaleneacetaldehyde, 1,2,3,7,8,8a-hexahydro-2,7-dihydroxy-8,8a-dimethyl-alpha-methylene-3-oxo-, (2R-(2alpha,7alpha,8alpha,8aalpha))-
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 100665-30-3 |
|---|---|
| SMILES | C[C@H]1[C@H](C=CC2=CC(=O)[C@@](C[C@]12C)(C(=C)C=O)O)O |
| InChIKey | JHFQQYIKTDAADV-OBCWZRDOSA-N |
Product Overview
Bipolaroxin (CAS 100665-30-3), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: 2-[(2R,7S,8R,8aR)-2,7-dihydroxy-8,8a-dimethyl-3-oxo-7,8-dihydro-1H-naphthalen-2-yl]prop-2-enal.
Chemical Property Profile of Bipolaroxin
Property Insights of Bipolaroxin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bipolaroxin. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bipolaroxin. Following Lipinski's Rule of Five, Bipolaroxin has 2 hydrogen bond donor(s) and 4 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 Bipolaroxin?
The CAS number of Bipolaroxin is 100665-30-3.
What is the molecular formula of Bipolaroxin?
The molecular formula of Bipolaroxin is C15H18O4.
What is the molecular weight of Bipolaroxin?
The molecular weight of Bipolaroxin is 262.12 g/mol.
Where can I buy Bipolaroxin?
You can request a quote for Bipolaroxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bipolaroxin?
Yes, KEHONG BIO provides custom synthesis services for Bipolaroxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.