Leiocarpaquinone
TL;DR: Leiocarpaquinone (CAS 13293-49-7) is a chemical compound with molecular formula C17H12O6 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-dihydroxy-6-methyl-9,10-dioxoanthracene-1-carboxylate
Also Known As: Leiocarpaquinone, methyl 2,5-dihydroxy-6-methyl-9,10-dioxoanthracene-1-carboxylate, 1-Anthracenecarboxylic acid, 9,10-dihydro-2,5-dihydroxy-6-methyl-9,10-dioxo-, methyl ester, METHYL 2,5-DIHYDROXY-6-METHYL-9,10-DIOXO-9,10-DIHYDROANTHRACENE-1-CARBOXYLATE, 1-Anthracenecarboxylicacid, 9,10-dihydro-2,5-dihydroxy-6-methyl-9,10-dioxo-, methyl ester
| Molecular Formula | C17H12O6 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.0634 |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 13293-49-7 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3C(=O)OC)O)O |
| InChIKey | VPHNLICITYBTRH-UHFFFAOYSA-N |
Product Overview
Leiocarpaquinone (CAS 13293-49-7), with molecular formula C17H12O6 and molecular weight 312.06 g/mol. IUPAC: methyl 2,5-dihydroxy-6-methyl-9,10-dioxoanthracene-1-carboxylate.
Chemical Property Profile of Leiocarpaquinone
Property Insights of Leiocarpaquinone
The XLogP value of 3.5 indicates that Leiocarpaquinone 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 Leiocarpaquinone. Following Lipinski's Rule of Five, Leiocarpaquinone 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 Leiocarpaquinone?
The CAS number of Leiocarpaquinone is 13293-49-7.
What is the molecular formula of Leiocarpaquinone?
The molecular formula of Leiocarpaquinone is C17H12O6.
What is the molecular weight of Leiocarpaquinone?
The molecular weight of Leiocarpaquinone is 312.06 g/mol.
Where can I buy Leiocarpaquinone?
You can request a quote for Leiocarpaquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leiocarpaquinone?
Yes, KEHONG BIO provides custom synthesis services for Leiocarpaquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.