1-Iodo-4-methyl-4-nitro-pentane
TL;DR: 1-Iodo-4-methyl-4-nitro-pentane (CAS 397323-44-3) is a chemical compound with molecular formula C6H12INO2 and molecular weight 256.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-4-methyl-4-nitropentane
Also Known As: 1-iodo-4-methyl-4-nitro-pentane, 4-methyl-4-nitropentyl iodide
| Molecular Formula | C6H12INO2 |
|---|---|
| Molecular Weight | 256.99 g/mol |
| LogP | 2.2569 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.99127 |
| Heavy Atoms | 10 |
| Complexity | 124.91622 |
Chemical Identifiers
| CAS Number | 397323-44-3 |
|---|---|
| SMILES | CC(C)(CCCI)[N+](=O)[O-] |
Product Overview
1-Iodo-4-methyl-4-nitro-pentane (CAS 397323-44-3), with molecular formula C6H12INO2 and molecular weight 256.99 g/mol. IUPAC: 1-iodo-4-methyl-4-nitropentane.
Chemical Property Profile of 1-Iodo-4-methyl-4-nitro-pentane
Property Insights of 1-Iodo-4-methyl-4-nitro-pentane
The XLogP value of 2.2569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Iodo-4-methyl-4-nitro-pentane. With a topological polar surface area (TPSA) of 43.14 Ų, 1-Iodo-4-methyl-4-nitro-pentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Iodo-4-methyl-4-nitro-pentane has 0 hydrogen bond donor(s) and 2 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 1-Iodo-4-methyl-4-nitro-pentane?
The CAS number of 1-Iodo-4-methyl-4-nitro-pentane is 397323-44-3.
What is the molecular formula of 1-Iodo-4-methyl-4-nitro-pentane?
The molecular formula of 1-Iodo-4-methyl-4-nitro-pentane is C6H12INO2.
What is the molecular weight of 1-Iodo-4-methyl-4-nitro-pentane?
The molecular weight of 1-Iodo-4-methyl-4-nitro-pentane is 256.99 g/mol.
Where can I buy 1-Iodo-4-methyl-4-nitro-pentane?
You can request a quote for 1-Iodo-4-methyl-4-nitro-pentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Iodo-4-methyl-4-nitro-pentane?
Yes, KEHONG BIO provides custom synthesis services for 1-Iodo-4-methyl-4-nitro-pentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.