5,8-Dihydronaphthalene-1,4-diyl diacetate
TL;DR: 5,8-Dihydronaphthalene-1,4-diyl diacetate (CAS 6543-34-6) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-5,8-dihydronaphthalen-1-yl) acetate
Also Known As: 5,8-dihydronaphthalene-1,4-diyl diacetate, (4-acetyloxy-5,8-dihydronaphthalen-1-yl) acetate, 4-(ACETYLOXY)-5,8-DIHYDRONAPHTHALEN-1-YL ACETATE
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 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 | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 6543-34-6 |
|---|---|
| SMILES | CC(=O)OC1=C2CC=CCC2=C(C=C1)OC(=O)C |
| InChIKey | XVBYYBJLKRDWRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,8-Dihydronaphthalene-1,4-diyl diacetate (CAS 6543-34-6), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: (4-acetyloxy-5,8-dihydronaphthalen-1-yl) acetate.
Chemical Property Profile of 5,8-Dihydronaphthalene-1,4-diyl diacetate
Property Insights of 5,8-Dihydronaphthalene-1,4-diyl diacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,8-Dihydronaphthalene-1,4-diyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 5,8-Dihydronaphthalene-1,4-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,8-Dihydronaphthalene-1,4-diyl diacetate 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 5,8-Dihydronaphthalene-1,4-diyl diacetate?
The CAS number of 5,8-Dihydronaphthalene-1,4-diyl diacetate is 6543-34-6.
What is the molecular formula of 5,8-Dihydronaphthalene-1,4-diyl diacetate?
The molecular formula of 5,8-Dihydronaphthalene-1,4-diyl diacetate is C14H14O4.
What is the molecular weight of 5,8-Dihydronaphthalene-1,4-diyl diacetate?
The molecular weight of 5,8-Dihydronaphthalene-1,4-diyl diacetate is 246.09 g/mol.
Where can I buy 5,8-Dihydronaphthalene-1,4-diyl diacetate?
You can request a quote for 5,8-Dihydronaphthalene-1,4-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,8-Dihydronaphthalene-1,4-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 5,8-Dihydronaphthalene-1,4-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.