4-Methyl-4-nitrovaleronitrile
TL;DR: 4-Methyl-4-nitrovaleronitrile (CAS 16507-00-9) is a chemical compound with molecular formula C6H10N2O2 and molecular weight 142.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-4-nitropentanenitrile
Also Known As: 4-methyl-4-nitropentanenitrile, 4-NITRO-4-METHYLVALERONITRILE, 4-methyl-4-nitrovaleronitrile, 4-methyl-4-nitro-valeronitrile, 4-Methyl-4-nitro-pentanenitrile
| Molecular Formula | C6H10N2O2 |
|---|---|
| Molecular Weight | 142.07 g/mol |
| LogP | 1.34548 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.07423 |
| Heavy Atoms | 10 |
| Complexity | 169.07686 |
Chemical Identifiers
| CAS Number | 16507-00-9 |
|---|---|
| SMILES | CC(C)(CCC#N)[N+](=O)[O-] |
Product Overview
4-Methyl-4-nitrovaleronitrile (CAS 16507-00-9), with molecular formula C6H10N2O2 and molecular weight 142.07 g/mol. IUPAC: 4-methyl-4-nitropentanenitrile.
Chemical Property Profile of 4-Methyl-4-nitrovaleronitrile
Property Insights of 4-Methyl-4-nitrovaleronitrile
The XLogP value of 1.34548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-4-nitrovaleronitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-4-nitrovaleronitrile. Following Lipinski's Rule of Five, 4-Methyl-4-nitrovaleronitrile 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 4-Methyl-4-nitrovaleronitrile?
The CAS number of 4-Methyl-4-nitrovaleronitrile is 16507-00-9.
What is the molecular formula of 4-Methyl-4-nitrovaleronitrile?
The molecular formula of 4-Methyl-4-nitrovaleronitrile is C6H10N2O2.
What is the molecular weight of 4-Methyl-4-nitrovaleronitrile?
The molecular weight of 4-Methyl-4-nitrovaleronitrile is 142.07 g/mol.
Where can I buy 4-Methyl-4-nitrovaleronitrile?
You can request a quote for 4-Methyl-4-nitrovaleronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-4-nitrovaleronitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-4-nitrovaleronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.