Methyl pentachloropropionate
TL;DR: Methyl pentachloropropionate (CAS 813-46-7) is a chemical compound with molecular formula C4H3Cl5O2 and molecular weight 257.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,3,3,3-pentachloropropanoate
Also Known As: methyl pentachloropropanoate, Methyl pentachloro-propanoate, METHYL PENTACHLOROPROPIONATE, Propanoic acid, pentachloro-, methyl ester, Methyl 2,2,3,3,3-pentachloropropanoate
| Molecular Formula | C4H3Cl5O2 |
|---|---|
| Molecular Weight | 257.86 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.85757 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 813-46-7 |
|---|---|
| SMILES | COC(=O)C(C(Cl)(Cl)Cl)(Cl)Cl |
| InChIKey | YSCHNGJMUJYQJG-UHFFFAOYSA-N |
Product Overview
Methyl pentachloropropionate (CAS 813-46-7), with molecular formula C4H3Cl5O2 and molecular weight 257.86 g/mol. IUPAC: methyl 2,2,3,3,3-pentachloropropanoate.
Chemical Property Profile of Methyl pentachloropropionate
Property Insights of Methyl pentachloropropionate
The XLogP value of 3.1 indicates that Methyl pentachloropropionate 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 pentachloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pentachloropropionate 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 pentachloropropionate?
The CAS number of Methyl pentachloropropionate is 813-46-7.
What is the molecular formula of Methyl pentachloropropionate?
The molecular formula of Methyl pentachloropropionate is C4H3Cl5O2.
What is the molecular weight of Methyl pentachloropropionate?
The molecular weight of Methyl pentachloropropionate is 257.86 g/mol.
Where can I buy Methyl pentachloropropionate?
You can request a quote for Methyl pentachloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl pentachloropropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl pentachloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.