![Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate structure](/static/products/327/327167-61-3.png)
Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate
TL;DR: Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate (CAS 327167-61-3) is a chemical compound with molecular formula C16H20N2O3S and molecular weight 320.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-3-oxobutanoate
Also Known As: BAS 01108734, A0532/0024569, propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate, isopropyl 4-((3-cyano-4,5,6-trimethylpyridin-2-yl)thio)-3-oxobutanoate, methylethyl 4-(3-cyano-4,5,6-trimethyl(2-pyridylthio))-3-oxobutanoate
| Molecular Formula | C16H20N2O3S |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.11948 |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 327167-61-3 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C)SCC(=O)CC(=O)OC(C)C)C#N)C |
| InChIKey | QHLQHSHKENPABH-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate (CAS 327167-61-3), with molecular formula C16H20N2O3S and molecular weight 320.12 g/mol. IUPAC: propan-2-yl 4-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Property Insights of Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate
The XLogP value of 3.1 indicates that Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate. Following Lipinski's Rule of Five, Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate has 0 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 Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate?
The CAS number of Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate is 327167-61-3.
What is the molecular formula of Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate?
The molecular formula of Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate is C16H20N2O3S.
What is the molecular weight of Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate?
The molecular weight of Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate is 320.12 g/mol.
Where can I buy Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate?
You can request a quote for Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-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-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.