Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate
TL;DR: Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate (CAS 92950-39-5) is a chemical compound with molecular formula C13H22N2O3 and molecular weight 254.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-2-cyano-3-methylheptanoate
Also Known As: ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate, ethyl 2-acetamido-2-cyano-3-methylheptanoate, Heptanoic acid, 2-(acetylamino)-2-cyano-3-methyl-,ethyl ester
| Molecular Formula | C13H22N2O3 |
|---|---|
| Molecular Weight | 254.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 254.16304 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 92950-39-5 |
|---|---|
| SMILES | CCCCC(C)C(C#N)(C(=O)OCC)NC(=O)C |
| InChIKey | FWGHLMSTDIJJIO-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate (CAS 92950-39-5), with molecular formula C13H22N2O3 and molecular weight 254.16 g/mol. IUPAC: ethyl 2-acetamido-2-cyano-3-methylheptanoate.
Chemical Property Profile of Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate
Property Insights of Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate. Following Lipinski's Rule of Five, Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate has 1 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 Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate?
The CAS number of Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate is 92950-39-5.
What is the molecular formula of Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate?
The molecular formula of Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate is C13H22N2O3.
What is the molecular weight of Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate?
The molecular weight of Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate is 254.16 g/mol.
Where can I buy Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate?
You can request a quote for Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(acetylamino)-2-cyano-3-methylheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.