1-Isocyano-3-methoxypropane
TL;DR: 1-Isocyano-3-methoxypropane (CAS 42563-58-6) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyano-3-methoxypropane
Also Known As: 3-Methoxypropyl isocyanide, 1-isocyano-3-methoxypropane, 3-Methoxypropylisocyanide, 1-isocyano-3-methoxy-propane, 1-Isocyano-3-methoxypropane, AldrichCPR
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 0.94219 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 64.970634 |
Chemical Identifiers
| CAS Number | 42563-58-6 |
|---|---|
| SMILES | COCCC[N+]#[C-] |
Product Overview
1-Isocyano-3-methoxypropane (CAS 42563-58-6), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 1-isocyano-3-methoxypropane.
Chemical Property Profile of 1-Isocyano-3-methoxypropane
Property Insights of 1-Isocyano-3-methoxypropane
The XLogP value of 0.94219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isocyano-3-methoxypropane. With a topological polar surface area (TPSA) of 13.59 Ų, 1-Isocyano-3-methoxypropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyano-3-methoxypropane 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-Isocyano-3-methoxypropane?
The CAS number of 1-Isocyano-3-methoxypropane is 42563-58-6.
What is the molecular formula of 1-Isocyano-3-methoxypropane?
The molecular formula of 1-Isocyano-3-methoxypropane is C5H9NO.
What is the molecular weight of 1-Isocyano-3-methoxypropane?
The molecular weight of 1-Isocyano-3-methoxypropane is 99.07 g/mol.
Where can I buy 1-Isocyano-3-methoxypropane?
You can request a quote for 1-Isocyano-3-methoxypropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyano-3-methoxypropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyano-3-methoxypropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.