Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate
TL;DR: Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate (CAS 477865-99-9) is a chemical compound with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-2-phenyl-6-(prop-2-enylamino)pyridine-3-carboxylate
Also Known As: ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate, ethyl 5-cyano-2-phenyl-6-(prop-2-enylamino)pyridine-3-carboxylate, ethyl 5-cyano-2-phenyl-6-[(prop-2-en-1-yl)amino]pyridine-3-carboxylate, ethyl5-cyano-2-phenyl-6-[(prop-2-en-1-yl)amino]pyridine-3-carboxylate
| Molecular Formula | C18H17N3O2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 3.39488 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.13208 |
| Heavy Atoms | 23 |
| Complexity | 748.8523 |
Chemical Identifiers
| CAS Number | 477865-99-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)NCC=C)C2=CC=CC=C2 |
Product Overview
Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate (CAS 477865-99-9), with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol. IUPAC: ethyl 5-cyano-2-phenyl-6-(prop-2-enylamino)pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate
Property Insights of Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate
The XLogP value of 3.39488 indicates that Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate. Following Lipinski's Rule of Five, Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate 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-(allylamino)-5-cyano-2-phenylnicotinate?
The CAS number of Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate is 477865-99-9.
What is the molecular formula of Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate?
The molecular formula of Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate is C18H17N3O2.
What is the molecular weight of Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate?
The molecular weight of Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate is 307.13 g/mol.
Where can I buy Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate?
You can request a quote for Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.