Aristolindiquinone
TL;DR: Aristolindiquinone (CAS 86533-36-0) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydroxy-3,8-dimethylnaphthalene-1,2-dione
Also Known As: Aristolindiquinone, 4,5-dihydroxy-3,8-dimethylnaphthalene-1,2-dione, HY-N2471, 2,5-Dihydroxy-3,8-dimethyl-1,4-naphthalenedione, 2,5-dihydroxy-3,8-dimethyl-1,4-naphthoquinone
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 86533-36-0 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)O)C(=C(C(=O)C2=O)C)O |
| InChIKey | SJBCQYINLQWMKL-UHFFFAOYSA-N |
Product Overview
Aristolindiquinone (CAS 86533-36-0), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 4,5-dihydroxy-3,8-dimethylnaphthalene-1,2-dione.
Chemical Property Profile of Aristolindiquinone
Property Insights of Aristolindiquinone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aristolindiquinone. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Aristolindiquinone. Following Lipinski's Rule of Five, Aristolindiquinone has 2 hydrogen bond donor(s) and 4 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 Aristolindiquinone?
The CAS number of Aristolindiquinone is 86533-36-0.
What is the molecular formula of Aristolindiquinone?
The molecular formula of Aristolindiquinone is C12H10O4.
What is the molecular weight of Aristolindiquinone?
The molecular weight of Aristolindiquinone is 218.06 g/mol.
Where can I buy Aristolindiquinone?
You can request a quote for Aristolindiquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aristolindiquinone?
Yes, KEHONG BIO provides custom synthesis services for Aristolindiquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.