2,4,4,4-Tetrachloro-1-butanol
TL;DR: 2,4,4,4-Tetrachloro-1-butanol (CAS 3290-70-8) is a chemical compound with molecular formula C4H6Cl4O and molecular weight 209.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4,4-tetrachlorobutan-1-ol
Also Known As: 2,4,4,4-Tetrachlorobutan-1-ol, TCBA, 2,4,4,4-Tetrachlorobutanol, Butanol, 2,4,4,4-tetrachloro-, 1-Butanol, 2,4,4,4-tetrachloro-
| Molecular Formula | C4H6Cl4O |
|---|---|
| Molecular Weight | 209.92 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.91432 |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
| Boiling Point | 247 °C. |
| Density | 1.51 |
| Vapor Pressure | 0.0031 [mmHg] |
Chemical Identifiers
| CAS Number | 3290-70-8 |
|---|---|
| SMILES | C(C(CO)Cl)C(Cl)(Cl)Cl |
| InChIKey | PHPDBVLDVIRSHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,4,4-Tetrachloro-1-butanol (CAS 3290-70-8), with molecular formula C4H6Cl4O and molecular weight 209.92 g/mol. IUPAC: 2,4,4,4-tetrachlorobutan-1-ol.
Chemical Property Profile of 2,4,4,4-Tetrachloro-1-butanol
Property Insights of 2,4,4,4-Tetrachloro-1-butanol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4,4-Tetrachloro-1-butanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,4,4,4-Tetrachloro-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4,4-Tetrachloro-1-butanol has 1 hydrogen bond donor(s) and 1 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 2,4,4,4-Tetrachloro-1-butanol?
The CAS number of 2,4,4,4-Tetrachloro-1-butanol is 3290-70-8.
What is the molecular formula of 2,4,4,4-Tetrachloro-1-butanol?
The molecular formula of 2,4,4,4-Tetrachloro-1-butanol is C4H6Cl4O.
What is the molecular weight of 2,4,4,4-Tetrachloro-1-butanol?
The molecular weight of 2,4,4,4-Tetrachloro-1-butanol is 209.92 g/mol.
Where can I buy 2,4,4,4-Tetrachloro-1-butanol?
You can request a quote for 2,4,4,4-Tetrachloro-1-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4,4-Tetrachloro-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4,4-Tetrachloro-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.