Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate
TL;DR: Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate (CAS 69960-35-6) is a chemical compound with molecular formula C19H16O6 and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate
Also Known As: methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate, methyl 4-(1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butanoate, 1,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-butyric acid methyl ester
| Molecular Formula | C19H16O6 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0947 |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 69960-35-6 |
|---|---|
| SMILES | COC(=O)CCCC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| InChIKey | NQTUSAFAUNDDMR-UHFFFAOYSA-N |
Product Overview
Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate (CAS 69960-35-6), with molecular formula C19H16O6 and molecular weight 340.09 g/mol. IUPAC: methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate.
Chemical Property Profile of Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate
Property Insights of Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate
The XLogP value of 3.7 indicates that Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate. Following Lipinski's Rule of Five, Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate has 2 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 Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate?
The CAS number of Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate is 69960-35-6.
What is the molecular formula of Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate?
The molecular formula of Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate is C19H16O6.
What is the molecular weight of Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate?
The molecular weight of Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate is 340.09 g/mol.
Where can I buy Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate?
You can request a quote for Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.