1,4-Diacetoxynaphthalene
TL;DR: 1,4-Diacetoxynaphthalene (CAS 5697-00-7) is a chemical compound with molecular formula C14H12O4 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxynaphthalen-1-yl) acetate
Also Known As: 1,4-Diacetoxynaphthalene, 1, diacetate, 1,4-Naphthalenediol, diacetate, Naphthalene-1,4-diyl diacetate, 1,4-Naphthalenediol, 1,4-diacetate
| Molecular Formula | C14H12O4 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.07356 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 5697-00-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C2=CC=CC=C21)OC(=O)C |
| InChIKey | SFAVMNCWIUOBCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Diacetoxynaphthalene (CAS 5697-00-7), with molecular formula C14H12O4 and molecular weight 244.07 g/mol. IUPAC: (4-acetyloxynaphthalen-1-yl) acetate.
Chemical Property Profile of 1,4-Diacetoxynaphthalene
Property Insights of 1,4-Diacetoxynaphthalene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diacetoxynaphthalene. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Diacetoxynaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diacetoxynaphthalene has 0 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 1,4-Diacetoxynaphthalene?
The CAS number of 1,4-Diacetoxynaphthalene is 5697-00-7.
What is the molecular formula of 1,4-Diacetoxynaphthalene?
The molecular formula of 1,4-Diacetoxynaphthalene is C14H12O4.
What is the molecular weight of 1,4-Diacetoxynaphthalene?
The molecular weight of 1,4-Diacetoxynaphthalene is 244.07 g/mol.
Where can I buy 1,4-Diacetoxynaphthalene?
You can request a quote for 1,4-Diacetoxynaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diacetoxynaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diacetoxynaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.