2,3,4-Trichlorobutyl acetate
TL;DR: 2,3,4-Trichlorobutyl acetate (CAS 3532-43-2) is a chemical compound with molecular formula C6H9Cl3O2 and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trichlorobutyl acetate
Also Known As: 2,3,4-trichlorobutyl acetate, 1-Butanol,2,3,4-trichloro-,1-acetate, 1-Butanol,2,3,4-trichloro-, 1-acetate, 654-013-7, RefChem:244009
| Molecular Formula | C6H9Cl3O2 |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.96681 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 3532-43-2 |
|---|---|
| SMILES | CC(=O)OCC(C(CCl)Cl)Cl |
| InChIKey | YJZNPEOYUFNCNW-UHFFFAOYSA-N |
Product Overview
2,3,4-Trichlorobutyl acetate (CAS 3532-43-2), with molecular formula C6H9Cl3O2 and molecular weight 217.97 g/mol. IUPAC: 2,3,4-trichlorobutyl acetate.
Chemical Property Profile of 2,3,4-Trichlorobutyl acetate
Property Insights of 2,3,4-Trichlorobutyl acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trichlorobutyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3,4-Trichlorobutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trichlorobutyl acetate 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 2,3,4-Trichlorobutyl acetate?
The CAS number of 2,3,4-Trichlorobutyl acetate is 3532-43-2.
What is the molecular formula of 2,3,4-Trichlorobutyl acetate?
The molecular formula of 2,3,4-Trichlorobutyl acetate is C6H9Cl3O2.
What is the molecular weight of 2,3,4-Trichlorobutyl acetate?
The molecular weight of 2,3,4-Trichlorobutyl acetate is 217.97 g/mol.
Where can I buy 2,3,4-Trichlorobutyl acetate?
You can request a quote for 2,3,4-Trichlorobutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trichlorobutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trichlorobutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.