大黃酸
TL;DR: 大黃酸 (CAS 478-43-3) is a chemical compound with molecular formula C15H8O6 and molecular weight 284.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大黃酸
4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Also Known As: Rhein, Monorhein, Cassic acid, Rhubarb Yellow, Rheic acid
| Molecular Formula | C15H8O6 |
|---|---|
| Molecular Weight | 284.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.03207 |
| Heavy Atoms | 21 |
| Complexity | 487.0 |
| Melting Point | 321.1 °C |
| Boiling Point | Sublimes |
| Solubility | less than 1 mg/mL at 63 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 478-43-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O |
| InChIKey | FCDLCPWAQCPTKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
大黃酸 (CAS 478-43-3), with molecular formula C15H8O6 and molecular weight 284.03 g/mol. IUPAC: 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid.
Chemical Property Profile of 大黃酸
Property Insights of 大黃酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 大黃酸. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 大黃酸. Following Lipinski's Rule of Five, 大黃酸 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
Frequently Asked Questions
What is the CAS number of 大黃酸?
The CAS number of 大黃酸 is 478-43-3.
What is the molecular formula of 大黃酸?
The molecular formula of 大黃酸 is C15H8O6.
What is the molecular weight of 大黃酸?
The molecular weight of 大黃酸 is 284.03 g/mol.
Where can I buy 大黃酸?
You can request a quote for 大黃酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大黃酸?
Yes, KEHONG BIO provides custom synthesis services for 大黃酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.