tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
TL;DR: tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate (CAS 337918-69-1) 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.
tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_017892, tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate, tert-butyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate, A1981/0083330
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 2.70298 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 684.71826 |
Chemical Identifiers
| CAS Number | 337918-69-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC=CO2)C(=O)OC(C)(C)C |
Product Overview
tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate (CAS 337918-69-1), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
Property Insights of tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 2.70298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-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 tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate?
The CAS number of tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate is 337918-69-1.
What is the molecular formula of tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate is C16H18N2O4.
What is the molecular weight of tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate is 302.13 g/mol.
Where can I buy tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-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 tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.