大黃酚
TL;DR: 大黃酚 (CAS 481-74-3) is a chemical compound with molecular formula C15H10O4 and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大黃酚
1,8-dihydroxy-3-methylanthracene-9,10-dione
Also Known As: Chrysophanol, CHRYSOPHANIC ACID, 3-Methylchrysazin, Turkey rhubarb, Crysophanol
| Molecular Formula | C15H10O4 |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.0579 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
| Melting Point | 196.1 °C (sublimes) |
| Boiling Point | Sublimes |
| Density | 0.92 g/cm cu at 25 °C |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 481-74-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
| InChIKey | LQGUBLBATBMXHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
大黃酚 (CAS 481-74-3), with molecular formula C15H10O4 and molecular weight 254.06 g/mol. IUPAC: 1,8-dihydroxy-3-methylanthracene-9,10-dione.
Chemical Property Profile of 大黃酚
Property Insights of 大黃酚
The XLogP value of 3.5 indicates that 大黃酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 大黃酚. Following Lipinski's Rule of Five, 大黃酚 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 大黃酚?
The CAS number of 大黃酚 is 481-74-3.
What is the molecular formula of 大黃酚?
The molecular formula of 大黃酚 is C15H10O4.
What is the molecular weight of 大黃酚?
The molecular weight of 大黃酚 is 254.06 g/mol.
Where can I buy 大黃酚?
You can request a quote for 大黃酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大黃酚?
Yes, KEHONG BIO provides custom synthesis services for 大黃酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.