氧代丙二腈
TL;DR: 氧代丙二腈 (CAS 1115-12-4) is a chemical compound with molecular formula C3N2O and molecular weight 80.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氧代丙二腈
carbonyl dicyanide
Also Known As: Mesoxalonitrile, carbonyl dicyanide, Carbonyl cyanide, oxomalononitrile, Oxopropanedinitrile
| Molecular Formula | C3N2O |
|---|---|
| Molecular Weight | 80.00 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 80.00106 |
| Heavy Atoms | 6 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 1115-12-4 |
|---|---|
| SMILES | C(#N)C(=O)C#N |
| InChIKey | JSGHQDAEHDRLOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氧代丙二腈 (CAS 1115-12-4), with molecular formula C3N2O and molecular weight 80.00 g/mol. IUPAC: carbonyl dicyanide.
Chemical Property Profile of 氧代丙二腈
Property Insights of 氧代丙二腈
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氧代丙二腈. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 氧代丙二腈. Following Lipinski's Rule of Five, 氧代丙二腈 has 0 hydrogen bond donor(s) and 3 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 氧代丙二腈?
The CAS number of 氧代丙二腈 is 1115-12-4.
What is the molecular formula of 氧代丙二腈?
The molecular formula of 氧代丙二腈 is C3N2O.
What is the molecular weight of 氧代丙二腈?
The molecular weight of 氧代丙二腈 is 80.00 g/mol.
Where can I buy 氧代丙二腈?
You can request a quote for 氧代丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氧代丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 氧代丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.