Methyl 9-anthracenecarboxylate
TL;DR: Methyl 9-anthracenecarboxylate (CAS 1504-39-8) 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.
methyl anthracene-9-carboxylate
Also Known As: Methyl 9-anthroate, methyl anthracene-9-carboxylate, Methyl 9-anthracenecarboxylate, 9-Anthracenecarboxylic acid methyl ester, 9-Methoxycarbonylanthracene
| Molecular Formula | C16H12O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 4.2 |
| 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 | 1504-39-8 |
|---|---|
| SMILES | COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31 |
| InChIKey | PHOYNPDEAQEHQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 9-anthracenecarboxylate (CAS 1504-39-8), with molecular formula C16H12O2 and molecular weight 236.08 g/mol. IUPAC: methyl anthracene-9-carboxylate.
Chemical Property Profile of Methyl 9-anthracenecarboxylate
Property Insights of Methyl 9-anthracenecarboxylate
The XLogP value of 4.2 indicates that Methyl 9-anthracenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 9-anthracenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 9-anthracenecarboxylate 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 Methyl 9-anthracenecarboxylate?
The CAS number of Methyl 9-anthracenecarboxylate is 1504-39-8.
What is the molecular formula of Methyl 9-anthracenecarboxylate?
The molecular formula of Methyl 9-anthracenecarboxylate is C16H12O2.
What is the molecular weight of Methyl 9-anthracenecarboxylate?
The molecular weight of Methyl 9-anthracenecarboxylate is 236.08 g/mol.
Where can I buy Methyl 9-anthracenecarboxylate?
You can request a quote for Methyl 9-anthracenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9-anthracenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9-anthracenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.