2,4,4,4-Tetrachlorobutanoyl chloride
TL;DR: 2,4,4,4-Tetrachlorobutanoyl chloride (CAS 68121-36-8) is a chemical compound with molecular formula C4H3Cl5O and molecular weight 241.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4,4-tetrachlorobutanoyl chloride
Also Known As: 2,4,4,4-Tetrachlorobutyryl chloride, 2,4,4,4-tetrachlorobutanoyl chloride, EINECS 268-527-0, 2,4,4,4-tetrachlorobutyric acid chloride, Butanoyl chloride, 2,4,4,4-tetrachloro-
| Molecular Formula | C4H3Cl5O |
|---|---|
| Molecular Weight | 241.86 g/mol |
| LogP | 3.1195 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.86266 |
| Heavy Atoms | 10 |
| Complexity | 128.09987 |
Chemical Identifiers
| CAS Number | 68121-36-8 |
|---|---|
| SMILES | C(C(C(=O)Cl)Cl)C(Cl)(Cl)Cl |
Product Overview
2,4,4,4-Tetrachlorobutanoyl chloride (CAS 68121-36-8), with molecular formula C4H3Cl5O and molecular weight 241.86 g/mol. IUPAC: 2,4,4,4-tetrachlorobutanoyl chloride.
Chemical Property Profile of 2,4,4,4-Tetrachlorobutanoyl chloride
Property Insights of 2,4,4,4-Tetrachlorobutanoyl chloride
The XLogP value of 3.1195 indicates that 2,4,4,4-Tetrachlorobutanoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2,4,4,4-Tetrachlorobutanoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4,4-Tetrachlorobutanoyl chloride has 0 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-Tetrachlorobutanoyl chloride?
The CAS number of 2,4,4,4-Tetrachlorobutanoyl chloride is 68121-36-8.
What is the molecular formula of 2,4,4,4-Tetrachlorobutanoyl chloride?
The molecular formula of 2,4,4,4-Tetrachlorobutanoyl chloride is C4H3Cl5O.
What is the molecular weight of 2,4,4,4-Tetrachlorobutanoyl chloride?
The molecular weight of 2,4,4,4-Tetrachlorobutanoyl chloride is 241.86 g/mol.
Where can I buy 2,4,4,4-Tetrachlorobutanoyl chloride?
You can request a quote for 2,4,4,4-Tetrachlorobutanoyl chloride 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-Tetrachlorobutanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4,4-Tetrachlorobutanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.