5-Phenanthridinecarboxylic acid, ethyl ester
TL;DR: 5-Phenanthridinecarboxylic acid, ethyl ester (CAS 7547-92-4) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6H-phenanthridine-5-carboxylate
Also Known As: Ethyl 5-phenanthridinecarboxylate, 5-Phenanthridinecarboxylic acid, ethyl ester, ethyl 6H-phenanthridine-5-carboxylate, Ethyl=5(6H)-phenanthridinecarboxylate, Ethyl phenanthridine-5(6H)-carboxylate
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 3.8301 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 621.65094 |
Chemical Identifiers
| CAS Number | 7547-92-4 |
|---|---|
| SMILES | CCOC(=O)N1CC2=CC=CC=C2C3=CC=CC=C31 |
Product Overview
5-Phenanthridinecarboxylic acid, ethyl ester (CAS 7547-92-4), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: ethyl 6H-phenanthridine-5-carboxylate.
Chemical Property Profile of 5-Phenanthridinecarboxylic acid, ethyl ester
Property Insights of 5-Phenanthridinecarboxylic acid, ethyl ester
The XLogP value of 3.8301 indicates that 5-Phenanthridinecarboxylic acid, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 5-Phenanthridinecarboxylic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenanthridinecarboxylic acid, ethyl ester 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 5-Phenanthridinecarboxylic acid, ethyl ester?
The CAS number of 5-Phenanthridinecarboxylic acid, ethyl ester is 7547-92-4.
What is the molecular formula of 5-Phenanthridinecarboxylic acid, ethyl ester?
The molecular formula of 5-Phenanthridinecarboxylic acid, ethyl ester is C16H15NO2.
What is the molecular weight of 5-Phenanthridinecarboxylic acid, ethyl ester?
The molecular weight of 5-Phenanthridinecarboxylic acid, ethyl ester is 253.11 g/mol.
Where can I buy 5-Phenanthridinecarboxylic acid, ethyl ester?
You can request a quote for 5-Phenanthridinecarboxylic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenanthridinecarboxylic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenanthridinecarboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.