3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester
TL;DR: 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester (CAS 5482-71-3) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methylphenanthridine-3-carboxylate
Also Known As: 3-Carbometossi-6-metilfenantridina, Methyl 6-methyl-3-phenanthridinecarboxylate, methyl 6-methylphenanthridine-3-carboxylate, 3-Carbometossi-6-metilfenantridina [Italian], 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 5482-71-3 |
|---|---|
| SMILES | CC1=NC2=C(C=CC(=C2)C(=O)OC)C3=CC=CC=C13 |
| InChIKey | MJEVRGLXKDWWSL-UHFFFAOYSA-N |
Product Overview
3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester (CAS 5482-71-3), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: methyl 6-methylphenanthridine-3-carboxylate.
Chemical Property Profile of 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester
Property Insights of 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester
The XLogP value of 3.7 indicates that 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester has 0 hydrogen bond donor(s) and 3 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 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester?
The CAS number of 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester is 5482-71-3.
What is the molecular formula of 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester?
The molecular formula of 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester is C16H13NO2.
What is the molecular weight of 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester?
The molecular weight of 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester is 251.09 g/mol.
Where can I buy 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester?
You can request a quote for 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.