Isocyanatocyclopropane
TL;DR: Isocyanatocyclopropane (CAS 4747-72-2) 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.
isocyanatocyclopropane
Also Known As: isocyanatocyclopropane, Cyclopropyl isocyanate, cyclopropane, isocyanato-, cyclopropylisocyanate, cyclopropane isocyanate
| Molecular Formula | C4H5NO |
|---|---|
| Molecular Weight | 83.04 g/mol |
| LogP | 1.5 |
| 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 | 4747-72-2 |
|---|---|
| SMILES | C1CC1N=C=O |
| InChIKey | DBBRJAWSDTYYBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isocyanatocyclopropane (CAS 4747-72-2), with molecular formula C4H5NO and molecular weight 83.04 g/mol. IUPAC: isocyanatocyclopropane.
Chemical Property Profile of Isocyanatocyclopropane
Property Insights of Isocyanatocyclopropane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocyanatocyclopropane. With a topological polar surface area (TPSA) of 29.4 Ų, Isocyanatocyclopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocyanatocyclopropane 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 Isocyanatocyclopropane?
The CAS number of Isocyanatocyclopropane is 4747-72-2.
What is the molecular formula of Isocyanatocyclopropane?
The molecular formula of Isocyanatocyclopropane is C4H5NO.
What is the molecular weight of Isocyanatocyclopropane?
The molecular weight of Isocyanatocyclopropane is 83.04 g/mol.
Where can I buy Isocyanatocyclopropane?
You can request a quote for Isocyanatocyclopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocyanatocyclopropane?
Yes, KEHONG BIO provides custom synthesis services for Isocyanatocyclopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.