3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine
TL;DR: 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine (CAS 957487-03-5) is a chemical compound with molecular formula C10H17NO and molecular weight 167.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine
Also Known As: 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine, 3-ethoxy-5,5-dimethyl-2-cyclohexen-1-imine, AE-018/31865029
| Molecular Formula | C10H17NO |
|---|---|
| Molecular Weight | 167.13 g/mol |
| LogP | 2.74657 |
| Topological Polar Surface Area | 33.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.13101 |
| Heavy Atoms | 12 |
| Complexity | 215.87846 |
Chemical Identifiers
| CAS Number | 957487-03-5 |
|---|---|
| SMILES | CCOC1=CC(=N)CC(C1)(C)C |
Product Overview
3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine (CAS 957487-03-5), with molecular formula C10H17NO and molecular weight 167.13 g/mol. IUPAC: 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine.
Chemical Property Profile of 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine
Property Insights of 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine
The XLogP value of 2.74657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine. With a topological polar surface area (TPSA) of 33.08 Ų, 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine has 1 hydrogen bond donor(s) and 2 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-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
The CAS number of 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine is 957487-03-5.
What is the molecular formula of 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
The molecular formula of 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine is C10H17NO.
What is the molecular weight of 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
The molecular weight of 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine is 167.13 g/mol.
Where can I buy 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
You can request a quote for 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.