Methyl cyanocycloheptylideneacetate
TL;DR: Methyl cyanocycloheptylideneacetate (CAS 1567-85-7) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-2-cycloheptylideneacetate
Also Known As: Methyl cyanocycloheptylideneacetate, methyl 2-cyano-2-cycloheptylideneacetate, methyl cyano(cycloheptylidene)acetate, cyano-cycloheptyliden-acetic acid methyl ester, Cyanocycloheptylideneacetic acid methyl ester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 1567-85-7 |
|---|---|
| SMILES | COC(=O)C(=C1CCCCCC1)C#N |
| InChIKey | SAJZJKZFYYBKKL-UHFFFAOYSA-N |
Product Overview
Methyl cyanocycloheptylideneacetate (CAS 1567-85-7), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: methyl 2-cyano-2-cycloheptylideneacetate.
Chemical Property Profile of Methyl cyanocycloheptylideneacetate
Property Insights of Methyl cyanocycloheptylideneacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cyanocycloheptylideneacetate. With a topological polar surface area (TPSA) of 50.1 Ų, Methyl cyanocycloheptylideneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cyanocycloheptylideneacetate has 0 hydrogen bond donor(s) and 3 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 Methyl cyanocycloheptylideneacetate?
The CAS number of Methyl cyanocycloheptylideneacetate is 1567-85-7.
What is the molecular formula of Methyl cyanocycloheptylideneacetate?
The molecular formula of Methyl cyanocycloheptylideneacetate is C11H15NO2.
What is the molecular weight of Methyl cyanocycloheptylideneacetate?
The molecular weight of Methyl cyanocycloheptylideneacetate is 193.11 g/mol.
Where can I buy Methyl cyanocycloheptylideneacetate?
You can request a quote for Methyl cyanocycloheptylideneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cyanocycloheptylideneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cyanocycloheptylideneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.