Purpurin 1-methyl ether
TL;DR: Purpurin 1-methyl ether (CAS 94099-66-8) is a chemical compound with molecular formula C15H10O5 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dihydroxy-1-methoxyanthracene-9,10-dione
Also Known As: Purpurin 1-methyl ether, Purpurin-1-methylether, Purpurin -1-methyl ether, Purpurin-1-methyl ether, 2,4-dihydroxy-1-methoxyanthracene-9,10-dione
| Molecular Formula | C15H10O5 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.05283 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 94099-66-8 |
|---|---|
| SMILES | COC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3C2=O)O)O |
| InChIKey | NLORVHQRZMJFEZ-UHFFFAOYSA-N |
Product Overview
Purpurin 1-methyl ether (CAS 94099-66-8), with molecular formula C15H10O5 and molecular weight 270.05 g/mol. IUPAC: 2,4-dihydroxy-1-methoxyanthracene-9,10-dione.
Chemical Property Profile of Purpurin 1-methyl ether
Property Insights of Purpurin 1-methyl ether
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purpurin 1-methyl ether. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Purpurin 1-methyl ether. Following Lipinski's Rule of Five, Purpurin 1-methyl ether has 2 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 Purpurin 1-methyl ether?
The CAS number of Purpurin 1-methyl ether is 94099-66-8.
What is the molecular formula of Purpurin 1-methyl ether?
The molecular formula of Purpurin 1-methyl ether is C15H10O5.
What is the molecular weight of Purpurin 1-methyl ether?
The molecular weight of Purpurin 1-methyl ether is 270.05 g/mol.
Where can I buy Purpurin 1-methyl ether?
You can request a quote for Purpurin 1-methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purpurin 1-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Purpurin 1-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.