白花丹素
TL;DR: 白花丹素 (CAS 481-42-5) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
白花丹素
5-hydroxy-2-methylnaphthalene-1,4-dione
Also Known As: Plumbagin, Plumbagine, 2-Methyljuglone, Plumbagone, Plumbaein
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 481-42-5 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C1=O)C=CC=C2O |
| InChIKey | VCMMXZQDRFWYSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
白花丹素 (CAS 481-42-5), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 5-hydroxy-2-methylnaphthalene-1,4-dione.
Chemical Property Profile of 白花丹素
Property Insights of 白花丹素
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 白花丹素. With a topological polar surface area (TPSA) of 54.4 Ų, 白花丹素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 白花丹素 has 1 hydrogen bond donor(s) and 3 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 白花丹素?
The CAS number of 白花丹素 is 481-42-5.
What is the molecular formula of 白花丹素?
The molecular formula of 白花丹素 is C11H8O3.
What is the molecular weight of 白花丹素?
The molecular weight of 白花丹素 is 188.05 g/mol.
Where can I buy 白花丹素?
You can request a quote for 白花丹素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白花丹素?
Yes, KEHONG BIO provides custom synthesis services for 白花丹素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.