1,1-Dichloro-1-nitropropane
TL;DR: 1,1-Dichloro-1-nitropropane (CAS 595-44-8) is a chemical compound with molecular formula C3H5Cl2NO2 and molecular weight 156.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloro-1-nitropropane
Also Known As: 1,1-DICHLORO-1-NITROPROPANE, Propane, 1,1-dichloro-1-nitro-, 1-dichloro-1-nitropropane, Propane,1-dichloro-1-nitro-, Propane,1,1-dichloro-1-nitro-
| Molecular Formula | C3H5Cl2NO2 |
|---|---|
| Molecular Weight | 156.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.96973 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 595-44-8 |
|---|---|
| SMILES | CCC([N+](=O)[O-])(Cl)Cl |
| InChIKey | DNYOTMDPSXBJRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dichloro-1-nitropropane (CAS 595-44-8), with molecular formula C3H5Cl2NO2 and molecular weight 156.97 g/mol. IUPAC: 1,1-dichloro-1-nitropropane.
Chemical Property Profile of 1,1-Dichloro-1-nitropropane
Property Insights of 1,1-Dichloro-1-nitropropane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dichloro-1-nitropropane. With a topological polar surface area (TPSA) of 45.8 Ų, 1,1-Dichloro-1-nitropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloro-1-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 1,1-Dichloro-1-nitropropane?
The CAS number of 1,1-Dichloro-1-nitropropane is 595-44-8.
What is the molecular formula of 1,1-Dichloro-1-nitropropane?
The molecular formula of 1,1-Dichloro-1-nitropropane is C3H5Cl2NO2.
What is the molecular weight of 1,1-Dichloro-1-nitropropane?
The molecular weight of 1,1-Dichloro-1-nitropropane is 156.97 g/mol.
Where can I buy 1,1-Dichloro-1-nitropropane?
You can request a quote for 1,1-Dichloro-1-nitropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dichloro-1-nitropropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichloro-1-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.