2-Nitrobutanimidoyl cyanide
TL;DR: 2-Nitrobutanimidoyl cyanide (CAS 98142-92-8) 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-nitrobutanimidoyl cyanide
Also Known As: 2-nitrobutanimidoyl cyanide, 3-Nitro-2-imino-valeriansaeure-nitril
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 98142-92-8 |
|---|---|
| SMILES | CCC(C(=N)C#N)[N+](=O)[O-] |
| InChIKey | ISDJIOMXGVWCMV-UHFFFAOYSA-N |
Product Overview
2-Nitrobutanimidoyl cyanide (CAS 98142-92-8), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: 2-nitrobutanimidoyl cyanide.
Chemical Property Profile of 2-Nitrobutanimidoyl cyanide
Property Insights of 2-Nitrobutanimidoyl cyanide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobutanimidoyl cyanide. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobutanimidoyl cyanide. Following Lipinski's Rule of Five, 2-Nitrobutanimidoyl cyanide 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-Nitrobutanimidoyl cyanide?
The CAS number of 2-Nitrobutanimidoyl cyanide is 98142-92-8.
What is the molecular formula of 2-Nitrobutanimidoyl cyanide?
The molecular formula of 2-Nitrobutanimidoyl cyanide is C5H7N3O2.
What is the molecular weight of 2-Nitrobutanimidoyl cyanide?
The molecular weight of 2-Nitrobutanimidoyl cyanide is 141.05 g/mol.
Where can I buy 2-Nitrobutanimidoyl cyanide?
You can request a quote for 2-Nitrobutanimidoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrobutanimidoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobutanimidoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.