(1E)-1-isocyanoprop-1-ene
TL;DR: (1E)-1-isocyanoprop-1-ene (CAS 52686-80-3) is a chemical compound with molecular formula C4H5N and molecular weight 67.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-isocyanoprop-1-ene
Also Known As: 1-isocyanoprop-1-ene, (1E)-1-isocyanoprop-1-ene, (E)-1-isocyanoprop-1-ene, 1-Propene,1-isocyano-,(E), [(E)-1-Propenyl] isocyanide
| Molecular Formula | C4H5N |
|---|---|
| Molecular Weight | 67.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 67.0422 |
| Heavy Atoms | 5 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 52686-80-3 |
|---|---|
| SMILES | C/C=C/[N+]#[C-] |
| InChIKey | XELQYSCBNSVAEF-ONEGZZNKSA-N |
Product Overview
(1E)-1-isocyanoprop-1-ene (CAS 52686-80-3), with molecular formula C4H5N and molecular weight 67.04 g/mol. IUPAC: (E)-1-isocyanoprop-1-ene.
Chemical Property Profile of (1E)-1-isocyanoprop-1-ene
Property Insights of (1E)-1-isocyanoprop-1-ene
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1E)-1-isocyanoprop-1-ene. With a topological polar surface area (TPSA) of 4.4 Ų, (1E)-1-isocyanoprop-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E)-1-isocyanoprop-1-ene 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 (1E)-1-isocyanoprop-1-ene?
The CAS number of (1E)-1-isocyanoprop-1-ene is 52686-80-3.
What is the molecular formula of (1E)-1-isocyanoprop-1-ene?
The molecular formula of (1E)-1-isocyanoprop-1-ene is C4H5N.
What is the molecular weight of (1E)-1-isocyanoprop-1-ene?
The molecular weight of (1E)-1-isocyanoprop-1-ene is 67.04 g/mol.
Where can I buy (1E)-1-isocyanoprop-1-ene?
You can request a quote for (1E)-1-isocyanoprop-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-1-isocyanoprop-1-ene?
Yes, KEHONG BIO provides custom synthesis services for (1E)-1-isocyanoprop-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.