2-Cyanobutanediamide
TL;DR: 2-Cyanobutanediamide (CAS 2129-59-1) is a chemical compound with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanobutanediamide
Also Known As: 2-cyanobutanediamide, Isobutylmalonsaeure-mononitril
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 2129-59-1 |
|---|---|
| SMILES | C(C(C#N)C(=O)N)C(=O)N |
| InChIKey | KFGCMPFWBITUSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyanobutanediamide (CAS 2129-59-1), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: 2-cyanobutanediamide.
Chemical Property Profile of 2-Cyanobutanediamide
Property Insights of 2-Cyanobutanediamide
The XLogP value of -2.1 indicates that 2-Cyanobutanediamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanobutanediamide. Following Lipinski's Rule of Five, 2-Cyanobutanediamide has 2 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 2-Cyanobutanediamide?
The CAS number of 2-Cyanobutanediamide is 2129-59-1.
What is the molecular formula of 2-Cyanobutanediamide?
The molecular formula of 2-Cyanobutanediamide is C5H7N3O2.
What is the molecular weight of 2-Cyanobutanediamide?
The molecular weight of 2-Cyanobutanediamide is 141.05 g/mol.
Where can I buy 2-Cyanobutanediamide?
You can request a quote for 2-Cyanobutanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanobutanediamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanobutanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.