2-肟基丙二腈
TL;DR: 2-肟基丙二腈 (CAS 36568-05-5) is a chemical compound with molecular formula C3HN3O and molecular weight 95.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-肟基丙二腈
2-hydroxyiminopropanedinitrile
Also Known As: hydroxycarbonimidoyl dicyanide, 2-hydroxyiminopropanedinitrile, hydroxyiminomalononitrile, starbld0007610, (hydroxyimino)propanedinitrile
| Molecular Formula | C3HN3O |
|---|---|
| Molecular Weight | 95.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 95.01196 |
| Heavy Atoms | 7 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 36568-05-5 |
|---|---|
| SMILES | C(#N)C(=NO)C#N |
| InChIKey | IQDSOHXLWXMDPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-肟基丙二腈 (CAS 36568-05-5), with molecular formula C3HN3O and molecular weight 95.01 g/mol. IUPAC: 2-hydroxyiminopropanedinitrile.
Chemical Property Profile of 2-肟基丙二腈
Property Insights of 2-肟基丙二腈
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-肟基丙二腈. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-肟基丙二腈. Following Lipinski's Rule of Five, 2-肟基丙二腈 has 1 hydrogen bond donor(s) and 4 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-肟基丙二腈?
The CAS number of 2-肟基丙二腈 is 36568-05-5.
What is the molecular formula of 2-肟基丙二腈?
The molecular formula of 2-肟基丙二腈 is C3HN3O.
What is the molecular weight of 2-肟基丙二腈?
The molecular weight of 2-肟基丙二腈 is 95.01 g/mol.
Where can I buy 2-肟基丙二腈?
You can request a quote for 2-肟基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-肟基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-肟基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.