丁酸1,2,2,2-四氯乙酯
TL;DR: 丁酸1,2,2,2-四氯乙酯 (CAS 36597-90-7) is a chemical compound with molecular formula C6H8Cl4O2 and molecular weight 251.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸1,2,2,2-四氯乙酯
1,2,2,2-tetrachloroethyl butanoate
Also Known As: Tetrachloroethyl butyrate, Tetrachloraethylbutyrat, 1,2,2,2-tetrachloroethyl butanoate, Tetrachloraethylbutyrat [German], Butanoic acid, 1,2,2,2-tetrachloroethyl ester
| Molecular Formula | C6H8Cl4O2 |
|---|---|
| Molecular Weight | 251.93 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.9249 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 36597-90-7 |
|---|---|
| SMILES | CCCC(=O)OC(C(Cl)(Cl)Cl)Cl |
| InChIKey | VRVMSNCOWHFEBP-UHFFFAOYSA-N |
Product Overview
丁酸1,2,2,2-四氯乙酯 (CAS 36597-90-7), with molecular formula C6H8Cl4O2 and molecular weight 251.93 g/mol. IUPAC: 1,2,2,2-tetrachloroethyl butanoate.
Chemical Property Profile of 丁酸1,2,2,2-四氯乙酯
Property Insights of 丁酸1,2,2,2-四氯乙酯
The XLogP value of 3.5 indicates that 丁酸1,2,2,2-四氯乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 丁酸1,2,2,2-四氯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酸1,2,2,2-四氯乙酯 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 丁酸1,2,2,2-四氯乙酯?
The CAS number of 丁酸1,2,2,2-四氯乙酯 is 36597-90-7.
What is the molecular formula of 丁酸1,2,2,2-四氯乙酯?
The molecular formula of 丁酸1,2,2,2-四氯乙酯 is C6H8Cl4O2.
What is the molecular weight of 丁酸1,2,2,2-四氯乙酯?
The molecular weight of 丁酸1,2,2,2-四氯乙酯 is 251.93 g/mol.
Where can I buy 丁酸1,2,2,2-四氯乙酯?
You can request a quote for 丁酸1,2,2,2-四氯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸1,2,2,2-四氯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸1,2,2,2-四氯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.