Methyl phenanthrene-3-carboxylate
TL;DR: Methyl phenanthrene-3-carboxylate (CAS 59504-32-4) 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 phenanthrene-3-carboxylate
Also Known As: methyl phenanthrene-3-carboxylate, methyl 3-phenanthrenecarboxylate, Methylphenanthrene-3-carboxylate, 3-Phenanthrenecarboxylic acid methyl ester, 7609AB
| Molecular Formula | C16H12O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 4.9 |
| 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 | 312.0 |
Chemical Identifiers
| CAS Number | 59504-32-4 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1 |
| InChIKey | PFARRVCKSKRETF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl phenanthrene-3-carboxylate (CAS 59504-32-4), with molecular formula C16H12O2 and molecular weight 236.08 g/mol. IUPAC: methyl phenanthrene-3-carboxylate.
Chemical Property Profile of Methyl phenanthrene-3-carboxylate
Property Insights of Methyl phenanthrene-3-carboxylate
The XLogP value of 4.9 indicates that Methyl phenanthrene-3-carboxylate 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 phenanthrene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl phenanthrene-3-carboxylate 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 phenanthrene-3-carboxylate?
The CAS number of Methyl phenanthrene-3-carboxylate is 59504-32-4.
What is the molecular formula of Methyl phenanthrene-3-carboxylate?
The molecular formula of Methyl phenanthrene-3-carboxylate is C16H12O2.
What is the molecular weight of Methyl phenanthrene-3-carboxylate?
The molecular weight of Methyl phenanthrene-3-carboxylate is 236.08 g/mol.
Where can I buy Methyl phenanthrene-3-carboxylate?
You can request a quote for Methyl phenanthrene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenanthrene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenanthrene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.