2-异氰基丙烷
TL;DR: 2-异氰基丙烷 (CAS 598-45-8) 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.
2-异氰基丙烷
2-isocyanopropane
Also Known As: Isopropyl isocyanide, 2-isocyanopropane, Propane, 2-isocyano-, isopropylisocyanide, isopropylisonitrile
| Molecular Formula | C4H7N |
|---|---|
| Molecular Weight | 69.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 69.057846 |
| Heavy Atoms | 5 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 598-45-8 |
|---|---|
| SMILES | CC(C)[N+]#[C-] |
| InChIKey | MJZUMMKYWBNKIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-异氰基丙烷 (CAS 598-45-8), with molecular formula C4H7N and molecular weight 69.06 g/mol. IUPAC: 2-isocyanopropane.
Chemical Property Profile of 2-异氰基丙烷
Property Insights of 2-异氰基丙烷
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-异氰基丙烷. With a topological polar surface area (TPSA) of 4.4 Ų, 2-异氰基丙烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-异氰基丙烷 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 2-异氰基丙烷?
The CAS number of 2-异氰基丙烷 is 598-45-8.
What is the molecular formula of 2-异氰基丙烷?
The molecular formula of 2-异氰基丙烷 is C4H7N.
What is the molecular weight of 2-异氰基丙烷?
The molecular weight of 2-异氰基丙烷 is 69.06 g/mol.
Where can I buy 2-异氰基丙烷?
You can request a quote for 2-异氰基丙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-异氰基丙烷?
Yes, KEHONG BIO provides custom synthesis services for 2-异氰基丙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.