3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester
TL;DR: 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester (CAS 89928-79-0) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
Also Known As: Methyl 4-methyl-1-(4-morpholinyl)-3-isoquinolinecarboxylate, 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester, methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate, 4-methyl-1-(4-morpholinyl)-3-isoquinolinecarboxylic acid methyl ester, METHYL 4-METHYL-1-(MORPHOLIN-4-YL)ISOQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 2.16642 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 678.5216 |
Chemical Identifiers
| CAS Number | 89928-79-0 |
|---|---|
| SMILES | CC1=C(N=C(C2=CC=CC=C12)N3CCOCC3)C(=O)OC |
Product Overview
3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester (CAS 89928-79-0), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate.
Chemical Property Profile of 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester
Property Insights of 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester
The XLogP value of 2.16642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester. With a topological polar surface area (TPSA) of 51.66 Ų, 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, 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, 4-methyl-1-(4-morpholinyl)-, methyl ester?
The CAS number of 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester is 89928-79-0.
What is the molecular formula of 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester?
The molecular formula of 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester is C16H18N2O3.
What is the molecular weight of 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester?
The molecular weight of 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester is 286.13 g/mol.
Where can I buy 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester?
You can request a quote for 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, 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, 4-methyl-1-(4-morpholinyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoquinolinecarboxylic acid, 4-methyl-1-(4-morpholinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.