1,3-Dichloro-2-(chloromethyl)-2-nitropropane
TL;DR: 1,3-Dichloro-2-(chloromethyl)-2-nitropropane (CAS 80552-29-0) is a chemical compound with molecular formula C4H6Cl3NO2 and molecular weight 204.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-2-(chloromethyl)-2-nitropropane
Also Known As: 1,3-dichloro-2-(chloromethyl)-2-nitropropane, TRIS(CHLOROMETHYL)NITROMETHANE, 1,3-Dichloro-2-chloromethyl-2-nitro-propane, Propane,1,3-dichloro-2-(chloromethyl)-2-nitro-, BAS 00415367
| Molecular Formula | C4H6Cl3NO2 |
|---|---|
| Molecular Weight | 204.95 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.94641 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 80552-29-0 |
|---|---|
| SMILES | C(C(CCl)(CCl)[N+](=O)[O-])Cl |
| InChIKey | DRNRNUICWWGRET-UHFFFAOYSA-N |
Product Overview
1,3-Dichloro-2-(chloromethyl)-2-nitropropane (CAS 80552-29-0), with molecular formula C4H6Cl3NO2 and molecular weight 204.95 g/mol. IUPAC: 1,3-dichloro-2-(chloromethyl)-2-nitropropane.
Chemical Property Profile of 1,3-Dichloro-2-(chloromethyl)-2-nitropropane
Property Insights of 1,3-Dichloro-2-(chloromethyl)-2-nitropropane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloro-2-(chloromethyl)-2-nitropropane. With a topological polar surface area (TPSA) of 45.8 Ų, 1,3-Dichloro-2-(chloromethyl)-2-nitropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloro-2-(chloromethyl)-2-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 1,3-Dichloro-2-(chloromethyl)-2-nitropropane?
The CAS number of 1,3-Dichloro-2-(chloromethyl)-2-nitropropane is 80552-29-0.
What is the molecular formula of 1,3-Dichloro-2-(chloromethyl)-2-nitropropane?
The molecular formula of 1,3-Dichloro-2-(chloromethyl)-2-nitropropane is C4H6Cl3NO2.
What is the molecular weight of 1,3-Dichloro-2-(chloromethyl)-2-nitropropane?
The molecular weight of 1,3-Dichloro-2-(chloromethyl)-2-nitropropane is 204.95 g/mol.
Where can I buy 1,3-Dichloro-2-(chloromethyl)-2-nitropropane?
You can request a quote for 1,3-Dichloro-2-(chloromethyl)-2-nitropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloro-2-(chloromethyl)-2-nitropropane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloro-2-(chloromethyl)-2-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.