3-Isocyanoprop-1-ene
TL;DR: 3-Isocyanoprop-1-ene (CAS 2835-21-4) is a chemical compound with molecular formula C4H5N and molecular weight 67.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanoprop-1-ene
Also Known As: Allyl isocyanide, 3-isocyanoprop-1-ene, 1-Propene, 3-isocyano-, 1-Propene, 3-isocyano-(9CI), 883-992-5
| Molecular Formula | C4H5N |
|---|---|
| Molecular Weight | 67.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 67.0422 |
| Heavy Atoms | 5 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 2835-21-4 |
|---|---|
| SMILES | C=CC[N+]#[C-] |
| InChIKey | LXJDXBGQVSHLOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isocyanoprop-1-ene (CAS 2835-21-4), with molecular formula C4H5N and molecular weight 67.04 g/mol. IUPAC: 3-isocyanoprop-1-ene.
Chemical Property Profile of 3-Isocyanoprop-1-ene
Property Insights of 3-Isocyanoprop-1-ene
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isocyanoprop-1-ene. With a topological polar surface area (TPSA) of 4.4 Ų, 3-Isocyanoprop-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isocyanoprop-1-ene 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 3-Isocyanoprop-1-ene?
The CAS number of 3-Isocyanoprop-1-ene is 2835-21-4.
What is the molecular formula of 3-Isocyanoprop-1-ene?
The molecular formula of 3-Isocyanoprop-1-ene is C4H5N.
What is the molecular weight of 3-Isocyanoprop-1-ene?
The molecular weight of 3-Isocyanoprop-1-ene is 67.04 g/mol.
Where can I buy 3-Isocyanoprop-1-ene?
You can request a quote for 3-Isocyanoprop-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyanoprop-1-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyanoprop-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.