Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate
TL;DR: Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate (CAS 445391-47-9) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-3-oxobutanoate
Also Known As: AM-807/41128621, isopropyl 4-[(5-cyano-2,3'-bipyridin-6-yl)thio]-3-oxobutanoate, propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate, propan-2-yl 4-({5-cyano-[2,3'-bipyridine]-6-yl}sulfanyl)-3-oxobutanoate, isopropyl 4-[(3-cyano-3',6-bipyridin-2-yl)sulfanyl]-3-oxobutanoate
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.01818 |
| Topological Polar Surface Area | 92.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 800.95874 |
Chemical Identifiers
| CAS Number | 445391-47-9 |
|---|---|
| SMILES | CC(C)OC(=O)CC(=O)CSC1=C(C=CC(=N1)C2=CN=CC=C2)C#N |
Product Overview
Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate (CAS 445391-47-9), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: propan-2-yl 4-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate
Property Insights of Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate
The XLogP value of 3.01818 indicates that Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate. Following Lipinski's Rule of Five, Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate has 0 hydrogen bond donor(s) and 7 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 Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The CAS number of Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate is 445391-47-9.
What is the molecular formula of Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The molecular formula of Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate is C18H17N3O3S.
What is the molecular weight of Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The molecular weight of Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate is 355.10 g/mol.
Where can I buy Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
You can request a quote for Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.