Naphthgeranine B
TL;DR: Naphthgeranine B (CAS 137109-44-5) is a chemical compound with molecular formula C20H20O6 and molecular weight 356.12598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,12bR)-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
Also Known As: Naphthgeranine B, Naphthgeranin B, (4aS,12bR)-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione, 4H-Benzo(d)naphtho(2,3-b)pyran-7,12-dione, 3,4a,5,12b-tetrahydro-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-, (4aS-cis)-, (4aS)-4,4abeta,5,12bbeta-Tetrahydro-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3H-benzo[d]naphtho[2,3-b]pyran-7,12-dione
Technical Specifications
| Molecular Formula | C20H20O6 |
| Molecular Weight | 356.12598 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.12598 Da |
| Heavy Atoms | 26 |
| Complexity | 718.0 |
| SMILES | CC1([C@H]2CCC(=C[C@H]2C3=C(O1)C(=O)C4=C(C3=O)C=C(C=C4O)O)CO)C |
| InChIKey | PTWDQKQKJHACJW-YPMHNXCESA-N |
Chemical Property Profile of Naphthgeranine B
Property Insights of Naphthgeranine B
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthgeranine B. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthgeranine B. Following Lipinski's Rule of Five, Naphthgeranine B has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Naphthgeranine B?
The CAS number of Naphthgeranine B is 137109-44-5.
What is the molecular formula of Naphthgeranine B?
The molecular formula of Naphthgeranine B is C20H20O6.
What is the molecular weight of Naphthgeranine B?
The molecular weight of Naphthgeranine B is 356.12598 g/mol.
Where can I buy Naphthgeranine B?
You can request a quote for Naphthgeranine B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Naphthgeranine B?
Yes, CoreyChem provides custom synthesis services for Naphthgeranine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.