3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane
TL;DR: 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane (CAS 53607-76-4) is a chemical compound with molecular formula C4H5BrCl3NO3 and molecular weight 298.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,1,1-trichloro-2-methoxy-3-nitropropane
Also Known As: 3-bromo-1,1,1-trichloro-2-methoxy-3-nitropropane, 1-bromo-2-methoxy-1-nitro-3,3,3-trichloropropane, 3-bromo-1,1,1-trichloro-2-methoxy-3-nitro-propane, RefChem:277141
| Molecular Formula | C4H5BrCl3NO3 |
|---|---|
| Molecular Weight | 298.85 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.85184 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 53607-76-4 |
|---|---|
| SMILES | COC(C([N+](=O)[O-])Br)C(Cl)(Cl)Cl |
| InChIKey | KHUKCLMKPRYSNN-UHFFFAOYSA-N |
Product Overview
3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane (CAS 53607-76-4), with molecular formula C4H5BrCl3NO3 and molecular weight 298.85 g/mol. IUPAC: 3-bromo-1,1,1-trichloro-2-methoxy-3-nitropropane.
Chemical Property Profile of 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane
Property Insights of 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane 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 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane?
The CAS number of 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane is 53607-76-4.
What is the molecular formula of 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane?
The molecular formula of 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane is C4H5BrCl3NO3.
What is the molecular weight of 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane?
The molecular weight of 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane is 298.85 g/mol.
Where can I buy 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane?
You can request a quote for 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,1,1-trichloro-2-methoxy-3-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.