橙桑素
TL;DR: 橙桑素 (CAS 519-34-6) is a chemical compound with molecular formula C13H10O6 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
橙桑素
(3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Also Known As: Maclurin, Macurin, Laguncurin, Moritannic acid, Fustic extract
| Molecular Formula | C13H10O6 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.04773 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
| Melting Point | 222 - 222.5 °C |
| Solubility | 5 mg/mL at 14 °C |
Chemical Identifiers
| CAS Number | 519-34-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2O)O)O)O)O |
| InChIKey | XNWPXDGRBWJIES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
橙桑素 (CAS 519-34-6), with molecular formula C13H10O6 and molecular weight 262.05 g/mol. IUPAC: (3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone.
Chemical Property Profile of 橙桑素
Property Insights of 橙桑素
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 橙桑素. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 橙桑素. Following Lipinski's Rule of Five, 橙桑素 has 5 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 橙桑素?
The CAS number of 橙桑素 is 519-34-6.
What is the molecular formula of 橙桑素?
The molecular formula of 橙桑素 is C13H10O6.
What is the molecular weight of 橙桑素?
The molecular weight of 橙桑素 is 262.05 g/mol.
Where can I buy 橙桑素?
You can request a quote for 橙桑素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 橙桑素?
Yes, KEHONG BIO provides custom synthesis services for 橙桑素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.