1-Iodo-3-nitropropane
TL;DR: 1-Iodo-3-nitropropane (CAS 57308-87-9) is a chemical compound with molecular formula C3H6INO2 and molecular weight 214.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-3-nitropropane
Also Known As: 1-Iodo-3-nitropropane, 3-Iodo-1-nitropropane, 1-iodo-3-nitro-propane, 1-Iodo-3-nitropropane #, 985-403-8
| Molecular Formula | C3H6INO2 |
|---|---|
| Molecular Weight | 214.94 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.94434 |
| Heavy Atoms | 7 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 57308-87-9 |
|---|---|
| SMILES | C(C[N+](=O)[O-])CI |
| InChIKey | UTSDWNXMKBEJCR-UHFFFAOYSA-N |
Product Overview
1-Iodo-3-nitropropane (CAS 57308-87-9), with molecular formula C3H6INO2 and molecular weight 214.94 g/mol. IUPAC: 1-iodo-3-nitropropane.
Chemical Property Profile of 1-Iodo-3-nitropropane
Property Insights of 1-Iodo-3-nitropropane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Iodo-3-nitropropane. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Iodo-3-nitropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Iodo-3-nitropropane 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-3-nitropropane?
The CAS number of 1-Iodo-3-nitropropane is 57308-87-9.
What is the molecular formula of 1-Iodo-3-nitropropane?
The molecular formula of 1-Iodo-3-nitropropane is C3H6INO2.
What is the molecular weight of 1-Iodo-3-nitropropane?
The molecular weight of 1-Iodo-3-nitropropane is 214.94 g/mol.
Where can I buy 1-Iodo-3-nitropropane?
You can request a quote for 1-Iodo-3-nitropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Iodo-3-nitropropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Iodo-3-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.