2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
TL;DR: 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 313244-21-2) is a chemical compound with molecular formula C17H17BrN2O4 and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_002042, 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate, BAS 00915194, AB00095920-01, F1461-0429
| Molecular Formula | C17H17BrN2O4 |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 2.72038 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.03717 |
| Heavy Atoms | 24 |
| Complexity | 731.9526 |
Chemical Identifiers
| CAS Number | 313244-21-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)Br)C(=O)OCCOC |
Product Overview
2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 313244-21-2), with molecular formula C17H17BrN2O4 and molecular weight 392.04 g/mol. IUPAC: 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Property Insights of 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 2.72038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate 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 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The CAS number of 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate is 313244-21-2.
What is the molecular formula of 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate is C17H17BrN2O4.
What is the molecular weight of 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate is 392.04 g/mol.
Where can I buy 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-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 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxyethyl 6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.