1-Isocyanato-1-propene
TL;DR: 1-Isocyanato-1-propene (CAS 4737-18-2) is a chemical compound with molecular formula C4H5NO and molecular weight 83.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanatoprop-1-ene
Also Known As: Propenyl isocyanate, methylvinylisocyanate, 1-isocyanatoprop-1-ene, 1-Isocyanato-1-propene
| Molecular Formula | C4H5NO |
|---|---|
| Molecular Weight | 83.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 83.03712 |
| Heavy Atoms | 6 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 4737-18-2 |
|---|---|
| SMILES | CC=CN=C=O |
| InChIKey | QWBNZGHJDZEJBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isocyanato-1-propene (CAS 4737-18-2), with molecular formula C4H5NO and molecular weight 83.04 g/mol. IUPAC: 1-isocyanatoprop-1-ene.
Chemical Property Profile of 1-Isocyanato-1-propene
Property Insights of 1-Isocyanato-1-propene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isocyanato-1-propene. With a topological polar surface area (TPSA) of 29.4 Ų, 1-Isocyanato-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanato-1-propene has 0 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 1-Isocyanato-1-propene?
The CAS number of 1-Isocyanato-1-propene is 4737-18-2.
What is the molecular formula of 1-Isocyanato-1-propene?
The molecular formula of 1-Isocyanato-1-propene is C4H5NO.
What is the molecular weight of 1-Isocyanato-1-propene?
The molecular weight of 1-Isocyanato-1-propene is 83.04 g/mol.
Where can I buy 1-Isocyanato-1-propene?
You can request a quote for 1-Isocyanato-1-propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanato-1-propene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanato-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.