Methyl 3-phenanthren-9-ylpropanoate
TL;DR: Methyl 3-phenanthren-9-ylpropanoate (CAS 5775-33-7) is a chemical compound with molecular formula C18H16O2 and molecular weight 264.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenanthren-9-ylpropanoate
Also Known As: methyl 3-phenanthren-9-ylpropanoate, methyl 3-(phenanthren-9-yl)propanoate, 9-PHENANTHRENEPROPIONIC ACID, METHYL ESTER, propanoic acid,2-[(4-morpholinylthioxomethyl)thio], RefChem:355167
| Molecular Formula | C18H16O2 |
|---|---|
| Molecular Weight | 264.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.11502 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 5775-33-7 |
|---|---|
| SMILES | COC(=O)CCC1=CC2=CC=CC=C2C3=CC=CC=C31 |
| InChIKey | FCYVMETYIVJITO-UHFFFAOYSA-N |
Product Overview
Methyl 3-phenanthren-9-ylpropanoate (CAS 5775-33-7), with molecular formula C18H16O2 and molecular weight 264.12 g/mol. IUPAC: methyl 3-phenanthren-9-ylpropanoate.
Chemical Property Profile of Methyl 3-phenanthren-9-ylpropanoate
Property Insights of Methyl 3-phenanthren-9-ylpropanoate
The XLogP value of 4.5 indicates that Methyl 3-phenanthren-9-ylpropanoate 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 3-phenanthren-9-ylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-phenanthren-9-ylpropanoate 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 3-phenanthren-9-ylpropanoate?
The CAS number of Methyl 3-phenanthren-9-ylpropanoate is 5775-33-7.
What is the molecular formula of Methyl 3-phenanthren-9-ylpropanoate?
The molecular formula of Methyl 3-phenanthren-9-ylpropanoate is C18H16O2.
What is the molecular weight of Methyl 3-phenanthren-9-ylpropanoate?
The molecular weight of Methyl 3-phenanthren-9-ylpropanoate is 264.12 g/mol.
Where can I buy Methyl 3-phenanthren-9-ylpropanoate?
You can request a quote for Methyl 3-phenanthren-9-ylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-phenanthren-9-ylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-phenanthren-9-ylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.