![[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate structure](/static/products/852/852870-26-9.png)
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate
TL;DR: [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate (CAS 852870-26-9) is a chemical compound with molecular formula C16H12ClN3O3 and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate
Also Known As: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate|1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl 4-cyanobenzoate|MLS002169077|SMR001249415
| Molecular Formula | C16H12ClN3O3 |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 2.79068 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.05673 |
| Heavy Atoms | 23 |
| Complexity | 751.6351 |
Chemical Identifiers
| CAS Number | 852870-26-9 |
|---|---|
| SMILES | CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)C#N |
Product Overview
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate (CAS 852870-26-9), with molecular formula C16H12ClN3O3 and molecular weight 329.06 g/mol. IUPAC: [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate.
Chemical Property Profile of [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate
Property Insights of [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate
The XLogP value of 2.79068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate. Following Lipinski's Rule of Five, [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate 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 [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate?
The CAS number of [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate is 852870-26-9.
What is the molecular formula of [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate?
The molecular formula of [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate is C16H12ClN3O3.
What is the molecular weight of [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate?
The molecular weight of [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate is 329.06 g/mol.
Where can I buy [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate?
You can request a quote for [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.