2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester
TL;DR: 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester (CAS 900641-04-5) is a chemical compound with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate
Also Known As: UPCMLD0ENAT5381996:001, 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester, methyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate
| Molecular Formula | C18H14ClNO2 |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 4.4272 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.07132 |
| Heavy Atoms | 22 |
| Complexity | 831.1148 |
Chemical Identifiers
| CAS Number | 900641-04-5 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2N=C1CCl)C3=CC=CC=C3 |
Product Overview
2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester (CAS 900641-04-5), with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol. IUPAC: methyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate.
Chemical Property Profile of 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester
Property Insights of 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester
The XLogP value of 4.4272 indicates that 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid 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 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester?
The CAS number of 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester is 900641-04-5.
What is the molecular formula of 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester?
The molecular formula of 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester is C18H14ClNO2.
What is the molecular weight of 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester?
The molecular weight of 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester is 311.07 g/mol.
Where can I buy 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester?
You can request a quote for 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-4-phenyl-3-Quinolinecarboxylic acid Methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.