Propane, 1-chloro-3-isocyanato-
TL;DR: Propane, 1-chloro-3-isocyanato- (CAS 151418-26-7) is a chemical compound with molecular formula C4H6ClNO and molecular weight 119.013794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-isocyanatopropane
Also Known As: 3-Chloropropyl isocyanate, 1-Chloro-3-isocyanatopropane, 3-Chloropropylisocyanate, Propane, 1-chloro-3-isocyanato-, chloropropylisocyanate
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6ClNO |
| Molecular Weight | 119.013794 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 119.013794 Da |
| Heavy Atoms | 7 |
| Complexity | 77.0 |
| SMILES | C(CN=C=O)CCl |
| InChIKey | RQAVSDINDRNIKL-UHFFFAOYSA-N |
Chemical Property Profile of Propane, 1-chloro-3-isocyanato-
Property Insights of Propane, 1-chloro-3-isocyanato-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propane, 1-chloro-3-isocyanato-. With a topological polar surface area (TPSA) of 29.4 Ų, Propane, 1-chloro-3-isocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propane, 1-chloro-3-isocyanato- 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
What is the CAS number of Propane, 1-chloro-3-isocyanato-?
The CAS number of Propane, 1-chloro-3-isocyanato- is 151418-26-7.
What is the molecular formula of Propane, 1-chloro-3-isocyanato-?
The molecular formula of Propane, 1-chloro-3-isocyanato- is C4H6ClNO.
What is the molecular weight of Propane, 1-chloro-3-isocyanato-?
The molecular weight of Propane, 1-chloro-3-isocyanato- is 119.013794 g/mol.
Where can I buy Propane, 1-chloro-3-isocyanato-?
You can request a quote for Propane, 1-chloro-3-isocyanato- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propane, 1-chloro-3-isocyanato-?
Yes, CoreyChem provides custom synthesis services for Propane, 1-chloro-3-isocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.