4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester (CAS 37677-10-4) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperazin-1-ylethyl 4-oxochromene-2-carboxylate
Also Known As: 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester, 2-(1-Piperazinyl)ethyl 4-oxo-4H-1-benzopyran-2-carboxylate, 2-piperazin-1-ylethyl 4-oxochromene-2-carboxylate, 4-Oxo-4H-1-benzopyran-2-carboxylic acid 2-(1-piperazinyl)ethyl ester, 2-(piperazin-1-yl)ethyl 4-oxo-4h-chromene-2-carboxylate
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 37677-10-4 |
|---|---|
| SMILES | C1CN(CCN1)CCOC(=O)C2=CC(=O)C3=CC=CC=C3O2 |
| InChIKey | CNVULVHFOPOISP-UHFFFAOYSA-N |
Product Overview
4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester (CAS 37677-10-4), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: 2-piperazin-1-ylethyl 4-oxochromene-2-carboxylate.
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester has 1 hydrogen bond donor(s) and 6 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-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester is 37677-10-4.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester is C16H18N2O4.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester is 302.13 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.