(4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate
TL;DR: (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate (CAS 732994-68-2) is a chemical compound with molecular formula C12H10ClN3O3 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate
Also Known As: (4-amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate, (4-amino-3-cyano-2-oxo-pent-3-enyl) 2-chloropyridine-3-carboxylate, 3-(1-aminoethylidene)-3-cyano-2-oxopropyl 2-chloropyridine-3-carboxylate
| Molecular Formula | C12H10ClN3O3 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 1.21718 |
| Topological Polar Surface Area | 106.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.04108 |
| Heavy Atoms | 19 |
| Complexity | 586.12756 |
Chemical Identifiers
| CAS Number | 732994-68-2 |
|---|---|
| SMILES | CC(=C(C#N)C(=O)COC(=O)C1=C(N=CC=C1)Cl)N |
Product Overview
(4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate (CAS 732994-68-2), with molecular formula C12H10ClN3O3 and molecular weight 279.04 g/mol. IUPAC: (4-amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate.
Chemical Property Profile of (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate
Property Insights of (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate
The XLogP value of 1.21718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate. The TPSA of 106.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-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 (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate?
The CAS number of (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate is 732994-68-2.
What is the molecular formula of (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate?
The molecular formula of (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate is C12H10ClN3O3.
What is the molecular weight of (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate?
The molecular weight of (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate is 279.04 g/mol.
Where can I buy (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate?
You can request a quote for (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Amino-3-cyano-2-oxopent-3-enyl) 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.