9-Anthryl acetate
TL;DR: 9-Anthryl acetate (CAS 1499-12-3) is a chemical compound with molecular formula C16H12O2 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
anthracen-9-yl acetate
Also Known As: 9-anthryl acetate, 9-Acetoxyanthracene, 9-Anthrol, acetate, anthracen-9-yl acetate, Anthranol acetate
| Molecular Formula | C16H12O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.08372 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 1499-12-3 |
|---|---|
| SMILES | CC(=O)OC1=C2C=CC=CC2=CC3=CC=CC=C31 |
| InChIKey | JNPODXPXHNFGDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Anthryl acetate (CAS 1499-12-3), with molecular formula C16H12O2 and molecular weight 236.08 g/mol. IUPAC: anthracen-9-yl acetate.
Chemical Property Profile of 9-Anthryl acetate
Property Insights of 9-Anthryl acetate
The XLogP value of 4.3 indicates that 9-Anthryl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 9-Anthryl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Anthryl acetate has 0 hydrogen bond donor(s) and 2 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 9-Anthryl acetate?
The CAS number of 9-Anthryl acetate is 1499-12-3.
What is the molecular formula of 9-Anthryl acetate?
The molecular formula of 9-Anthryl acetate is C16H12O2.
What is the molecular weight of 9-Anthryl acetate?
The molecular weight of 9-Anthryl acetate is 236.08 g/mol.
Where can I buy 9-Anthryl acetate?
You can request a quote for 9-Anthryl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Anthryl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Anthryl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.