1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione
TL;DR: 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione (CAS 15979-72-3) is a chemical compound with molecular formula C19H16O7 and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione
Also Known As: Rubrocomatulin 6-methyl ether, Anthraquinone,4,5-trihydroxy-7-methoxy-, RUBROCOMATULIN 6-METHYL ETHER (AN), 1-butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione, J3.547.801I
| Molecular Formula | C19H16O7 |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0896 |
| Heavy Atoms | 26 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 15979-72-3 |
|---|---|
| SMILES | CCCC(=O)C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O)O |
| InChIKey | GHWOYWBEOYLCPN-UHFFFAOYSA-N |
Product Overview
1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione (CAS 15979-72-3), with molecular formula C19H16O7 and molecular weight 356.09 g/mol. IUPAC: 1-butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione.
Chemical Property Profile of 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione
Property Insights of 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione
The XLogP value of 3.4 indicates that 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione. Following Lipinski's Rule of Five, 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione has 3 hydrogen bond donor(s) and 7 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 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione?
The CAS number of 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione is 15979-72-3.
What is the molecular formula of 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione?
The molecular formula of 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione is C19H16O7.
What is the molecular weight of 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione?
The molecular weight of 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione is 356.09 g/mol.
Where can I buy 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione?
You can request a quote for 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanoyl-2,4,5-trihydroxy-7-methoxyanthracene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.