4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester
TL;DR: 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester (CAS 61656-77-7) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-benzyl-4-oxoquinolizine-1,2-dicarboxylate
Also Known As: dimethyl 3-benzyl-4-oxoquinolizine-1,2-dicarboxylate, Dimethyl 3-benzyl-4-oxo-4H-quinolizine-1,2-dicarboxylate, 1,2-dimethyl 3-benzyl-4-oxo-4H-quinolizine-1,2-dicarboxylate, 4-Oxo-3-phenylmethyl-4H-quinolizine-1,2-dicarboxylic acid dimethyl ester, Dimethyl 3-benzyl-4-oxo-4H-quinolizine-1,2-dicarboxylate #
| Molecular Formula | C20H17NO5 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.1107 |
| Heavy Atoms | 26 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 61656-77-7 |
|---|---|
| SMILES | COC(=O)C1=C2C=CC=CN2C(=O)C(=C1C(=O)OC)CC3=CC=CC=C3 |
| InChIKey | JKJQSSHJRATRBZ-UHFFFAOYSA-N |
Product Overview
4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester (CAS 61656-77-7), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: dimethyl 3-benzyl-4-oxoquinolizine-1,2-dicarboxylate.
Chemical Property Profile of 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester
Property Insights of 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester. Following Lipinski's Rule of Five, 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl 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 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester?
The CAS number of 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester is 61656-77-7.
What is the molecular formula of 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester?
The molecular formula of 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester is C20H17NO5.
What is the molecular weight of 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester?
The molecular weight of 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester is 351.11 g/mol.
Where can I buy 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester?
You can request a quote for 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-Quinolizine-1,2-dicarboxylic acid, 4-oxo-3-(phenylmethyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.