2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester
TL;DR: 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester (CAS 72799-05-4) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-iminochromene-3-carboxylate
Also Known As: ethyl 2-iminochromene-3-carboxylate, TimTec1_000002, 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester, ethyl 2-imino-2H-chromene-3-carboxylate, 2H-1-Benzopyran-3-carboxylic acid, 2-imino-, ethyl
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 72799-05-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2OC1=N |
| InChIKey | VIDQZOIHGUAFDH-UHFFFAOYSA-N |
Product Overview
2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester (CAS 72799-05-4), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: ethyl 2-iminochromene-3-carboxylate.
Chemical Property Profile of 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester
Property Insights of 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester. With a topological polar surface area (TPSA) of 59.4 Ų, 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 4 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-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester?
The CAS number of 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester is 72799-05-4.
What is the molecular formula of 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester?
The molecular formula of 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester is C12H11NO3.
What is the molecular weight of 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester?
The molecular weight of 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester is 217.07 g/mol.
Where can I buy 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester?
You can request a quote for 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-2H-1-benzopyran-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.