3-Bromo-1,1,1-trichloro-2-methylbutane
TL;DR: 3-Bromo-1,1,1-trichloro-2-methylbutane (CAS 6953-20-4) is a chemical compound with molecular formula C5H8BrCl3 and molecular weight 251.89 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-methylbutane
Also Known As: 3-bromo-1,1,1-trichloro-2-methylbutane, 3-BROMO-2-METHYL-1,1,1-TRICHLOROBUTANE
| Molecular Formula | C5H8BrCl3 |
|---|---|
| Molecular Weight | 251.89 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.8875 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 6953-20-4 |
|---|---|
| SMILES | CC(C(C)Br)C(Cl)(Cl)Cl |
| InChIKey | GGLUIKUWBLTLKN-UHFFFAOYSA-N |
Product Overview
3-Bromo-1,1,1-trichloro-2-methylbutane (CAS 6953-20-4), with molecular formula C5H8BrCl3 and molecular weight 251.89 g/mol. IUPAC: 3-bromo-1,1,1-trichloro-2-methylbutane.
Chemical Property Profile of 3-Bromo-1,1,1-trichloro-2-methylbutane
Property Insights of 3-Bromo-1,1,1-trichloro-2-methylbutane
The XLogP value of 4.1 indicates that 3-Bromo-1,1,1-trichloro-2-methylbutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Bromo-1,1,1-trichloro-2-methylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1,1,1-trichloro-2-methylbutane 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 3-Bromo-1,1,1-trichloro-2-methylbutane?
The CAS number of 3-Bromo-1,1,1-trichloro-2-methylbutane is 6953-20-4.
What is the molecular formula of 3-Bromo-1,1,1-trichloro-2-methylbutane?
The molecular formula of 3-Bromo-1,1,1-trichloro-2-methylbutane is C5H8BrCl3.
What is the molecular weight of 3-Bromo-1,1,1-trichloro-2-methylbutane?
The molecular weight of 3-Bromo-1,1,1-trichloro-2-methylbutane is 251.89 g/mol.
Where can I buy 3-Bromo-1,1,1-trichloro-2-methylbutane?
You can request a quote for 3-Bromo-1,1,1-trichloro-2-methylbutane 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-methylbutane?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,1,1-trichloro-2-methylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.