1,1,1-Tris(chloromethyl)propane
TL;DR: 1,1,1-Tris(chloromethyl)propane (CAS 82925-88-0) is a chemical compound with molecular formula C6H11Cl3 and molecular weight 187.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,2-bis(chloromethyl)butane
Also Known As: 1,1,1-Tris(chloromethyl)propane, 1-chloro-2,2-bis(chloromethyl)butane, 1,1,1-Tris propane, Butane,1-chloro-2,2-bis(chloromethyl)-, 2,2-bis-(chloromethyl)-1-chlorobutane
| Molecular Formula | C6H11Cl3 |
|---|---|
| Molecular Weight | 187.99 g/mol |
| LogP | 3.0992 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.99263 |
| Heavy Atoms | 9 |
| Complexity | 51.19345 |
Chemical Identifiers
| CAS Number | 82925-88-0 |
|---|---|
| SMILES | CCC(CCl)(CCl)CCl |
Product Overview
1,1,1-Tris(chloromethyl)propane (CAS 82925-88-0), with molecular formula C6H11Cl3 and molecular weight 187.99 g/mol. IUPAC: 1-chloro-2,2-bis(chloromethyl)butane.
Chemical Property Profile of 1,1,1-Tris(chloromethyl)propane
Property Insights of 1,1,1-Tris(chloromethyl)propane
The XLogP value of 3.0992 indicates that 1,1,1-Tris(chloromethyl)propane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1-Tris(chloromethyl)propane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Tris(chloromethyl)propane has 0 hydrogen bond donor(s) and 0 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 1,1,1-Tris(chloromethyl)propane?
The CAS number of 1,1,1-Tris(chloromethyl)propane is 82925-88-0.
What is the molecular formula of 1,1,1-Tris(chloromethyl)propane?
The molecular formula of 1,1,1-Tris(chloromethyl)propane is C6H11Cl3.
What is the molecular weight of 1,1,1-Tris(chloromethyl)propane?
The molecular weight of 1,1,1-Tris(chloromethyl)propane is 187.99 g/mol.
Where can I buy 1,1,1-Tris(chloromethyl)propane?
You can request a quote for 1,1,1-Tris(chloromethyl)propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Tris(chloromethyl)propane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Tris(chloromethyl)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.