Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone
TL;DR: Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone (CAS 18093-47-5) is a chemical compound with molecular formula C17H16O6 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3,4-dioxonaphthalen-1-yl)propanedioate
Also Known As: diethyl 2-(3,4-dioxo-1-naphthyl)propanedioate, J1.413.796C, Q186 4-(BIS(ETHOXYCARBONYL)METHYL)-1,2-NAPHTHOQUINONE, diethyl 2-(3,4-dioxonaphthalen-1-yl)propanedioate, Diethyl (3,4-dioxo-3,4-dihydro-1-naphthyl)malonate
| Molecular Formula | C17H16O6 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.0947 |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 18093-47-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=O)C(=O)C2=CC=CC=C21)C(=O)OCC |
| InChIKey | MHSHXKLBQAJAKU-UHFFFAOYSA-N |
Product Overview
Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone (CAS 18093-47-5), with molecular formula C17H16O6 and molecular weight 316.09 g/mol. IUPAC: diethyl 2-(3,4-dioxonaphthalen-1-yl)propanedioate.
Chemical Property Profile of Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone
Property Insights of Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone. Following Lipinski's Rule of Five, Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone has 0 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 Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone?
The CAS number of Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone is 18093-47-5.
What is the molecular formula of Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone?
The molecular formula of Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone is C17H16O6.
What is the molecular weight of Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone?
The molecular weight of Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone is 316.09 g/mol.
Where can I buy Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone?
You can request a quote for Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for Q186 4-(Bis(ethoxycarbonyl)methyl)-1,2-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.