Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate
TL;DR: Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate (CAS 299198-05-3) is a chemical compound with molecular formula C16H15IN2O3 and molecular weight 410.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate
Also Known As: Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate, BAS 01316995, 6-Amino-5-cyano-4-(3-iodo-phenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester, A0030/0001350, Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate #
| Molecular Formula | C16H15IN2O3 |
|---|---|
| Molecular Weight | 410.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.01273 |
| Heavy Atoms | 22 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 299198-05-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)I)C#N)N)C |
| InChIKey | ZDNPASVKQISNOI-UHFFFAOYSA-N |
Product Overview
Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate (CAS 299198-05-3), with molecular formula C16H15IN2O3 and molecular weight 410.01 g/mol. IUPAC: ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate
Property Insights of Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 3.1 indicates that Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate has 1 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 Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate?
The CAS number of Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate is 299198-05-3.
What is the molecular formula of Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate is C16H15IN2O3.
What is the molecular weight of Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate is 410.01 g/mol.
Where can I buy Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.