Naphthalen-1-ylmethanediyl diacetate
TL;DR: Naphthalen-1-ylmethanediyl diacetate (CAS 37587-86-3) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy(naphthalen-1-yl)methyl] acetate
Also Known As: naphthalen-1-ylmethanediyl diacetate, 1-naphthylmethanediol diacetate, (1-Naphthyl)methylenediacetate, 1-(Diacetoxymethyl)naphthalene, 1-Naphthaldehyde diacetyl acetal
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 37587-86-3 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC2=CC=CC=C21)OC(=O)C |
| InChIKey | SVDYJLYOWDIMEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphthalen-1-ylmethanediyl diacetate (CAS 37587-86-3), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: [acetyloxy(naphthalen-1-yl)methyl] acetate.
Chemical Property Profile of Naphthalen-1-ylmethanediyl diacetate
Property Insights of Naphthalen-1-ylmethanediyl diacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthalen-1-ylmethanediyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Naphthalen-1-ylmethanediyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphthalen-1-ylmethanediyl 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 Naphthalen-1-ylmethanediyl diacetate?
The CAS number of Naphthalen-1-ylmethanediyl diacetate is 37587-86-3.
What is the molecular formula of Naphthalen-1-ylmethanediyl diacetate?
The molecular formula of Naphthalen-1-ylmethanediyl diacetate is C15H14O4.
What is the molecular weight of Naphthalen-1-ylmethanediyl diacetate?
The molecular weight of Naphthalen-1-ylmethanediyl diacetate is 258.09 g/mol.
Where can I buy Naphthalen-1-ylmethanediyl diacetate?
You can request a quote for Naphthalen-1-ylmethanediyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalen-1-ylmethanediyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-1-ylmethanediyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.