Naphthalene-1,2,4-triyl triacetate
TL;DR: Naphthalene-1,2,4-triyl triacetate (CAS 1785-67-7) is a chemical compound with molecular formula C16H14O6 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-diacetyloxynaphthalen-1-yl) acetate
Also Known As: Naphthalene-1,2,4-triyl triacetate, 1,2,4-Triacetoxynaphthalene, 1,4-Triacetoxynaphthalene, (3,4-diacetyloxynaphthalen-1-yl) acetate, 1,2,4-triacetyloxynaphthalene
| Molecular Formula | C16H14O6 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.07904 |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 1785-67-7 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C2=CC=CC=C21)OC(=O)C)OC(=O)C |
| InChIKey | QJECYGRWVGWSQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphthalene-1,2,4-triyl triacetate (CAS 1785-67-7), with molecular formula C16H14O6 and molecular weight 302.08 g/mol. IUPAC: (3,4-diacetyloxynaphthalen-1-yl) acetate.
Chemical Property Profile of Naphthalene-1,2,4-triyl triacetate
Property Insights of Naphthalene-1,2,4-triyl triacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthalene-1,2,4-triyl triacetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthalene-1,2,4-triyl triacetate. Following Lipinski's Rule of Five, Naphthalene-1,2,4-triyl triacetate 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 Naphthalene-1,2,4-triyl triacetate?
The CAS number of Naphthalene-1,2,4-triyl triacetate is 1785-67-7.
What is the molecular formula of Naphthalene-1,2,4-triyl triacetate?
The molecular formula of Naphthalene-1,2,4-triyl triacetate is C16H14O6.
What is the molecular weight of Naphthalene-1,2,4-triyl triacetate?
The molecular weight of Naphthalene-1,2,4-triyl triacetate is 302.08 g/mol.
Where can I buy Naphthalene-1,2,4-triyl triacetate?
You can request a quote for Naphthalene-1,2,4-triyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalene-1,2,4-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for Naphthalene-1,2,4-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.