丙-2-烯酰氰
TL;DR: 丙-2-烯酰氰 (CAS 60556-87-8) is a chemical compound with molecular formula C4H3NO and molecular weight 81.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙-2-烯酰氰
prop-2-enoyl cyanide
Also Known As: prop-2-enoyl cyanide, 2-oxobut-3-enenitrile, 2-oxo-3-butenonitrile, 2-Oxo-3-butenenitrile, 3-butenenitrile, 2-oxo-
| Molecular Formula | C4H3NO |
|---|---|
| Molecular Weight | 81.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 81.02146 |
| Heavy Atoms | 6 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 60556-87-8 |
|---|---|
| SMILES | C=CC(=O)C#N |
| InChIKey | MJDVPXPHTLECMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙-2-烯酰氰 (CAS 60556-87-8), with molecular formula C4H3NO and molecular weight 81.02 g/mol. IUPAC: prop-2-enoyl cyanide.
Chemical Property Profile of 丙-2-烯酰氰
Property Insights of 丙-2-烯酰氰
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙-2-烯酰氰. With a topological polar surface area (TPSA) of 40.9 Ų, 丙-2-烯酰氰 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙-2-烯酰氰 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 丙-2-烯酰氰?
The CAS number of 丙-2-烯酰氰 is 60556-87-8.
What is the molecular formula of 丙-2-烯酰氰?
The molecular formula of 丙-2-烯酰氰 is C4H3NO.
What is the molecular weight of 丙-2-烯酰氰?
The molecular weight of 丙-2-烯酰氰 is 81.02 g/mol.
Where can I buy 丙-2-烯酰氰?
You can request a quote for 丙-2-烯酰氰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙-2-烯酰氰?
Yes, KEHONG BIO provides custom synthesis services for 丙-2-烯酰氰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.