Isopropyl isocyanate
TL;DR: Isopropyl isocyanate (CAS 1795-48-8) is a chemical compound with molecular formula C4H7NO and molecular weight 85.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanatopropane
Also Known As: Isopropyl isocyanate, 2-Isocyanatopropane, Propane, 2-isocyanato-, isopropylisocynate, isoproylisocyanate
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 85.052765 |
| Heavy Atoms | 6 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 1795-48-8 |
|---|---|
| SMILES | CC(C)N=C=O |
| InChIKey | GSLTVFIVJMCNBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl isocyanate (CAS 1795-48-8), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: 2-isocyanatopropane.
Chemical Property Profile of Isopropyl isocyanate
Property Insights of Isopropyl isocyanate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, Isopropyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl isocyanate 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 Isopropyl isocyanate?
The CAS number of Isopropyl isocyanate is 1795-48-8.
What is the molecular formula of Isopropyl isocyanate?
The molecular formula of Isopropyl isocyanate is C4H7NO.
What is the molecular weight of Isopropyl isocyanate?
The molecular weight of Isopropyl isocyanate is 85.05 g/mol.
Where can I buy Isopropyl isocyanate?
You can request a quote for Isopropyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.