3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester
TL;DR: 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester (CAS 78945-96-7) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-morpholin-4-yl-4-phenylisoquinoline-3-carboxylate
Also Known As: Methyl 1-(4-morpholinyl)-4-phenyl-3-isoquinolinecarboxylate, 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester, methyl 1-morpholin-4-yl-4-phenylisoquinoline-3-carboxylate, METHYL 1-MORPHOLIN-4-YL-4-PHENYL-ISOQUINOLINE-3-CARBOXYLATE, METHYL 1-(MORPHOLIN-4-YL)-4-PHENYLISOQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C21H20N2O3 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 3.525 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.1474 |
| Heavy Atoms | 26 |
| Complexity | 934.644 |
Chemical Identifiers
| CAS Number | 78945-96-7 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2C(=N1)N3CCOCC3)C4=CC=CC=C4 |
Product Overview
3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester (CAS 78945-96-7), with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol. IUPAC: methyl 1-morpholin-4-yl-4-phenylisoquinoline-3-carboxylate.
Chemical Property Profile of 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester
Property Insights of 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester
The XLogP value of 3.525 indicates that 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.66 Ų, 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester has 0 hydrogen bond donor(s) and 5 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-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester?
The CAS number of 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester is 78945-96-7.
What is the molecular formula of 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester?
The molecular formula of 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester is C21H20N2O3.
What is the molecular weight of 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester?
The molecular weight of 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester is 348.15 g/mol.
Where can I buy 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester?
You can request a quote for 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, 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-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoquinolinecarboxylic acid, 1-(4-morpholinyl)-4-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.