Rubiginone B1
TL;DR: Rubiginone B1 (CAS 130364-39-5) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3S)-1-hydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
Also Known As: Rubiginone B1, (1S,3S)-1-hydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione, Benz(a)anthracene-7,12-dione, 1,2,3,4-tetrahydro-1-hydroxy-8-methoxy-3-methyl-, (1S-cis)-, (1S,3S)-1-HYDROXY-8-METHOXY-3-METHYL-1,2,3,4-TETRAHYDROTETRAPHENE-7,12-DIONE, (1S,3S)-1-HYDROXY-8-METHOXY-3-METHYL-1,2,3,4,7,12-HEXAHYDROTETRAPHENE-7,12-DIONE
Technical Specifications
| Molecular Formula | C20H18O4 |
| Molecular Weight | 322.1205 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.1205 Da |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
| SMILES | C[C@@H]1C[C@@H](C2=C(C1)C=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC)O |
| InChIKey | GCPUVEMWOWMALU-HZMBPMFUSA-N |
Chemical Property Profile of Rubiginone B1
Property Insights of Rubiginone B1
The XLogP value of 3.2 indicates that Rubiginone B1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Rubiginone B1. Following Lipinski's Rule of Five, Rubiginone B1 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Rubiginone B1?
The CAS number of Rubiginone B1 is 130364-39-5.
What is the molecular formula of Rubiginone B1?
The molecular formula of Rubiginone B1 is C20H18O4.
What is the molecular weight of Rubiginone B1?
The molecular weight of Rubiginone B1 is 322.1205 g/mol.
Where can I buy Rubiginone B1?
You can request a quote for Rubiginone B1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rubiginone B1?
Yes, CoreyChem provides custom synthesis services for Rubiginone B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.