2-Methoxy-1-methylethyl cyanoacetate
TL;DR: 2-Methoxy-1-methylethyl cyanoacetate (CAS 32804-79-8) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxypropan-2-yl 2-cyanoacetate
Also Known As: 2-Methoxyisopropyl cyanoacetate, 1-methoxypropan-2-yl 2-cyanoacetate, 2-METHOXYISOPROPYLCYANOACETATE, CINANSERINHYDROCHLORIDE, 1-methoxy-2-propyl cyanoacetate
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 32804-79-8 |
|---|---|
| SMILES | CC(COC)OC(=O)CC#N |
| InChIKey | JUTDWYGWGYSOSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxy-1-methylethyl cyanoacetate (CAS 32804-79-8), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: 1-methoxypropan-2-yl 2-cyanoacetate.
Chemical Property Profile of 2-Methoxy-1-methylethyl cyanoacetate
Property Insights of 2-Methoxy-1-methylethyl cyanoacetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-1-methylethyl cyanoacetate. With a topological polar surface area (TPSA) of 59.3 Ų, 2-Methoxy-1-methylethyl cyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-1-methylethyl cyanoacetate 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 2-Methoxy-1-methylethyl cyanoacetate?
The CAS number of 2-Methoxy-1-methylethyl cyanoacetate is 32804-79-8.
What is the molecular formula of 2-Methoxy-1-methylethyl cyanoacetate?
The molecular formula of 2-Methoxy-1-methylethyl cyanoacetate is C7H11NO3.
What is the molecular weight of 2-Methoxy-1-methylethyl cyanoacetate?
The molecular weight of 2-Methoxy-1-methylethyl cyanoacetate is 157.07 g/mol.
Where can I buy 2-Methoxy-1-methylethyl cyanoacetate?
You can request a quote for 2-Methoxy-1-methylethyl cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-1-methylethyl cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-1-methylethyl cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.