1-Ethoxy-3-isocyanopropane
TL;DR: 1-Ethoxy-3-isocyanopropane (CAS 113790-06-0) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-3-isocyanopropane
Also Known As: 1-ethoxy-3-isocyanopropane, 3-Ethoxypropyl isocyanide, 1-ethoxy-3-isocyano-propane, J2.311.231K
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 1.33229 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 75.087944 |
Chemical Identifiers
| CAS Number | 113790-06-0 |
|---|---|
| SMILES | CCOCCC[N+]#[C-] |
Product Overview
1-Ethoxy-3-isocyanopropane (CAS 113790-06-0), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: 1-ethoxy-3-isocyanopropane.
Chemical Property Profile of 1-Ethoxy-3-isocyanopropane
Property Insights of 1-Ethoxy-3-isocyanopropane
The XLogP value of 1.33229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxy-3-isocyanopropane. With a topological polar surface area (TPSA) of 13.59 Ų, 1-Ethoxy-3-isocyanopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxy-3-isocyanopropane has 0 hydrogen bond donor(s) and 1 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 1-Ethoxy-3-isocyanopropane?
The CAS number of 1-Ethoxy-3-isocyanopropane is 113790-06-0.
What is the molecular formula of 1-Ethoxy-3-isocyanopropane?
The molecular formula of 1-Ethoxy-3-isocyanopropane is C6H11NO.
What is the molecular weight of 1-Ethoxy-3-isocyanopropane?
The molecular weight of 1-Ethoxy-3-isocyanopropane is 113.08 g/mol.
Where can I buy 1-Ethoxy-3-isocyanopropane?
You can request a quote for 1-Ethoxy-3-isocyanopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxy-3-isocyanopropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxy-3-isocyanopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.