![Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate structure](/static/products/445/445391-30-0.png)
Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate
TL;DR: Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate (CAS 445391-30-0) is a chemical compound with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]carbamate
Also Known As: BAS 06900748, AM-807/41063013, ethyl (2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetyl)carbamate, ethyl [(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetylcarbamate, ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate
| Molecular Formula | C13H15N3O3S |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.0834 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 445391-30-0 |
|---|---|
| SMILES | CCOC(=O)NC(=O)CSC1=C(C(=CC(=N1)C)C)C#N |
| InChIKey | UWKDYAQABYPMTM-UHFFFAOYSA-N |
Product Overview
Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate (CAS 445391-30-0), with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol. IUPAC: ethyl N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]carbamate.
Chemical Property Profile of Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate
Property Insights of Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate. Following Lipinski's Rule of Five, Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate 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 Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate?
The CAS number of Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate is 445391-30-0.
What is the molecular formula of Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate?
The molecular formula of Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate is C13H15N3O3S.
What is the molecular weight of Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate?
The molecular weight of Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate is 293.08 g/mol.
Where can I buy Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate?
You can request a quote for Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.