紫矿素
TL;DR: 紫矿素 (CAS 487-52-5) is a chemical compound with molecular formula C15H12O5 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
紫矿素
1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Also Known As: butein, 2',3,4,4'-Tetrahydroxychalcone, 2',3,4,4'-tetrahydroxy Chalcone, 3,4,2',4'-Tetrahydroxychalcone, 2',4',3,4-Tetrahydroxy chalcone
| Molecular Formula | C15H12O5 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.06848 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 487-52-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O |
| InChIKey | AYMYWHCQALZEGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
紫矿素 (CAS 487-52-5), with molecular formula C15H12O5 and molecular weight 272.07 g/mol. IUPAC: 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 紫矿素
Property Insights of 紫矿素
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 紫矿素. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 紫矿素. Following Lipinski's Rule of Five, 紫矿素 has 4 hydrogen bond donor(s) and 5 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 紫矿素?
The CAS number of 紫矿素 is 487-52-5.
What is the molecular formula of 紫矿素?
The molecular formula of 紫矿素 is C15H12O5.
What is the molecular weight of 紫矿素?
The molecular weight of 紫矿素 is 272.07 g/mol.
Where can I buy 紫矿素?
You can request a quote for 紫矿素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 紫矿素?
Yes, KEHONG BIO provides custom synthesis services for 紫矿素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.