![[4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate structure](/static/products/1818/181867-24-3.webp)
[4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate
TL;DR: [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate (CAS 181867-24-3) is a chemical compound with molecular formula C21H18O5 and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate
Also Known As: [4-[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate|4-[3-(1-hydroxy-3,4-dioxo-3,4-dihydronaphthalen-2-yl)propyl]phenyl acetate|1,4-Naphthalenedione,2-[3-[4-(acetyloxy)phenyl]propyl]-3-hydroxy-|[4-[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] ace
| Molecular Formula | C21H18O5 |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.11542 |
| Heavy Atoms | 26 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 181867-24-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)CCCC2=C(C3=CC=CC=C3C(=O)C2=O)O |
| InChIKey | XOTAVFQAFUHENE-UHFFFAOYSA-N |
Product Overview
[4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate (CAS 181867-24-3), with molecular formula C21H18O5 and molecular weight 350.12 g/mol. IUPAC: [4-[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate.
Chemical Property Profile of [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate
Property Insights of [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate
The XLogP value of 3.4 indicates that [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate. Following Lipinski's Rule of Five, [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate has 1 hydrogen bond donor(s) and 5 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 [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate?
The CAS number of [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate is 181867-24-3.
What is the molecular formula of [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate?
The molecular formula of [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate is C21H18O5.
What is the molecular weight of [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate?
The molecular weight of [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate is 350.12 g/mol.
Where can I buy [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate?
You can request a quote for [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)propyl]phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.