Methyl 1-triphenylenecarboxylate
TL;DR: Methyl 1-triphenylenecarboxylate (CAS 56909-16-1) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl triphenylene-1-carboxylate
Also Known As: Methyl 1-triphenylenecarboxylate, methyl triphenylene-1-carboxylate, Methyl 1-triphenylenecarboxylate #, 1-Triphenylenecarboxylic acid methyl ester, 1-Triphenylenecarboxylic acid, methyl ester
| Molecular Formula | C20H14O2 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.09937 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 56909-16-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC2=C1C3=CC=CC=C3C4=CC=CC=C24 |
| InChIKey | MESYQSUJXFZPJM-UHFFFAOYSA-N |
Product Overview
Methyl 1-triphenylenecarboxylate (CAS 56909-16-1), with molecular formula C20H14O2 and molecular weight 286.10 g/mol. IUPAC: methyl triphenylene-1-carboxylate.
Chemical Property Profile of Methyl 1-triphenylenecarboxylate
Property Insights of Methyl 1-triphenylenecarboxylate
The XLogP value of 4.7 indicates that Methyl 1-triphenylenecarboxylate 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 1-triphenylenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-triphenylenecarboxylate 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 1-triphenylenecarboxylate?
The CAS number of Methyl 1-triphenylenecarboxylate is 56909-16-1.
What is the molecular formula of Methyl 1-triphenylenecarboxylate?
The molecular formula of Methyl 1-triphenylenecarboxylate is C20H14O2.
What is the molecular weight of Methyl 1-triphenylenecarboxylate?
The molecular weight of Methyl 1-triphenylenecarboxylate is 286.10 g/mol.
Where can I buy Methyl 1-triphenylenecarboxylate?
You can request a quote for Methyl 1-triphenylenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-triphenylenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-triphenylenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.