3-Acetoxy-4-cyano-2,5-dimethylpyridine
TL;DR: 3-Acetoxy-4-cyano-2,5-dimethylpyridine (CAS 62312-44-1) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyano-2,5-dimethyl-3-pyridinyl) acetate
Also Known As: 3-Acetoxy-4-cyano-2,5-dimethylpyridine, (4-cyano-2,5-dimethylpyridin-3-yl) acetate, 4-Cyano-2,5-dimethyl-3-pyridinyl acetate, 4-Cyano-2,5-dimethyl-3-pyridinyl acetate #, 4-CYANO-2,5-DIMETHYLPYRIDIN-3-YL ACETATE
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 62312-44-1 |
|---|---|
| SMILES | CC1=CN=C(C(=C1C#N)OC(=O)C)C |
| InChIKey | MNAUBIUENHKMNK-UHFFFAOYSA-N |
Product Overview
3-Acetoxy-4-cyano-2,5-dimethylpyridine (CAS 62312-44-1), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: (4-cyano-2,5-dimethyl-3-pyridinyl) acetate.
Chemical Property Profile of 3-Acetoxy-4-cyano-2,5-dimethylpyridine
Property Insights of 3-Acetoxy-4-cyano-2,5-dimethylpyridine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetoxy-4-cyano-2,5-dimethylpyridine. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetoxy-4-cyano-2,5-dimethylpyridine. Following Lipinski's Rule of Five, 3-Acetoxy-4-cyano-2,5-dimethylpyridine has 0 hydrogen bond donor(s) and 4 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 3-Acetoxy-4-cyano-2,5-dimethylpyridine?
The CAS number of 3-Acetoxy-4-cyano-2,5-dimethylpyridine is 62312-44-1.
What is the molecular formula of 3-Acetoxy-4-cyano-2,5-dimethylpyridine?
The molecular formula of 3-Acetoxy-4-cyano-2,5-dimethylpyridine is C10H10N2O2.
What is the molecular weight of 3-Acetoxy-4-cyano-2,5-dimethylpyridine?
The molecular weight of 3-Acetoxy-4-cyano-2,5-dimethylpyridine is 190.07 g/mol.
Where can I buy 3-Acetoxy-4-cyano-2,5-dimethylpyridine?
You can request a quote for 3-Acetoxy-4-cyano-2,5-dimethylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxy-4-cyano-2,5-dimethylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-4-cyano-2,5-dimethylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.