Propane, 1-isocyano-
TL;DR: Propane, 1-isocyano- (CAS 627-36-1) is a chemical compound with molecular formula C4H7N and molecular weight 69.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanopropane
Also Known As: 1-isocyanopropane, N-Propyl Isocyanide, Propyl isocyanide, Propylisocyanid, Propane, 1-isocyano-
| Molecular Formula | C4H7N |
|---|---|
| Molecular Weight | 69.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 69.057846 |
| Heavy Atoms | 5 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 627-36-1 |
|---|---|
| SMILES | CCC[N+]#[C-] |
| InChIKey | FFDKYFGBIQQMSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propane, 1-isocyano- (CAS 627-36-1), with molecular formula C4H7N and molecular weight 69.06 g/mol. IUPAC: 1-isocyanopropane.
Chemical Property Profile of Propane, 1-isocyano-
Property Insights of Propane, 1-isocyano-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propane, 1-isocyano-. With a topological polar surface area (TPSA) of 4.4 Ų, Propane, 1-isocyano- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propane, 1-isocyano- 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 Propane, 1-isocyano-?
The CAS number of Propane, 1-isocyano- is 627-36-1.
What is the molecular formula of Propane, 1-isocyano-?
The molecular formula of Propane, 1-isocyano- is C4H7N.
What is the molecular weight of Propane, 1-isocyano-?
The molecular weight of Propane, 1-isocyano- is 69.06 g/mol.
Where can I buy Propane, 1-isocyano-?
You can request a quote for Propane, 1-isocyano- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane, 1-isocyano-?
Yes, KEHONG BIO provides custom synthesis services for Propane, 1-isocyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.