Methyl 3,3,4,4,4-pentachlorobutanoate
TL;DR: Methyl 3,3,4,4,4-pentachlorobutanoate (CAS 6655-53-4) is a chemical compound with molecular formula C5H5Cl5O2 and molecular weight 271.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,4,4,4-pentachlorobutanoate
Also Known As: n-Octylpyruvat, Methyl 3,3,4,4,4-pentachlorobutanoate, RefChem:354493
| Molecular Formula | C5H5Cl5O2 |
|---|---|
| Molecular Weight | 271.87 g/mol |
| LogP | 3.0936 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.87323 |
| Heavy Atoms | 12 |
| Complexity | 173.16762 |
Chemical Identifiers
| CAS Number | 6655-53-4 |
|---|---|
| SMILES | COC(=O)CC(C(Cl)(Cl)Cl)(Cl)Cl |
Product Overview
Methyl 3,3,4,4,4-pentachlorobutanoate (CAS 6655-53-4), with molecular formula C5H5Cl5O2 and molecular weight 271.87 g/mol. IUPAC: methyl 3,3,4,4,4-pentachlorobutanoate.
Chemical Property Profile of Methyl 3,3,4,4,4-pentachlorobutanoate
Property Insights of Methyl 3,3,4,4,4-pentachlorobutanoate
The XLogP value of 3.0936 indicates that Methyl 3,3,4,4,4-pentachlorobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3,3,4,4,4-pentachlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3,4,4,4-pentachlorobutanoate 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 Methyl 3,3,4,4,4-pentachlorobutanoate?
The CAS number of Methyl 3,3,4,4,4-pentachlorobutanoate is 6655-53-4.
What is the molecular formula of Methyl 3,3,4,4,4-pentachlorobutanoate?
The molecular formula of Methyl 3,3,4,4,4-pentachlorobutanoate is C5H5Cl5O2.
What is the molecular weight of Methyl 3,3,4,4,4-pentachlorobutanoate?
The molecular weight of Methyl 3,3,4,4,4-pentachlorobutanoate is 271.87 g/mol.
Where can I buy Methyl 3,3,4,4,4-pentachlorobutanoate?
You can request a quote for Methyl 3,3,4,4,4-pentachlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3,4,4,4-pentachlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3,4,4,4-pentachlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.