(2,3,4,5,6-Pentachlorophenyl) propanoate
TL;DR: (2,3,4,5,6-Pentachlorophenyl) propanoate (CAS 7402-53-1) is a chemical compound with molecular formula C9H5Cl5O2 and molecular weight 319.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) propanoate
Also Known As: pentachlorophenyl propanoate, (2,3,4,5,6-pentachlorophenyl) propanoate, PENTACHLOROPHENYL PROPIONATE
| Molecular Formula | C9H5Cl5O2 |
|---|---|
| Molecular Weight | 319.87 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.87323 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 7402-53-1 |
|---|---|
| SMILES | CCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | KYIQEQHXKAQJOA-UHFFFAOYSA-N |
Product Overview
(2,3,4,5,6-Pentachlorophenyl) propanoate (CAS 7402-53-1), with molecular formula C9H5Cl5O2 and molecular weight 319.87 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) propanoate.
Chemical Property Profile of (2,3,4,5,6-Pentachlorophenyl) propanoate
Property Insights of (2,3,4,5,6-Pentachlorophenyl) propanoate
The XLogP value of 5.3 indicates that (2,3,4,5,6-Pentachlorophenyl) propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2,3,4,5,6-Pentachlorophenyl) propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,3,4,5,6-Pentachlorophenyl) propanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,3,4,5,6-Pentachlorophenyl) propanoate?
The CAS number of (2,3,4,5,6-Pentachlorophenyl) propanoate is 7402-53-1.
What is the molecular formula of (2,3,4,5,6-Pentachlorophenyl) propanoate?
The molecular formula of (2,3,4,5,6-Pentachlorophenyl) propanoate is C9H5Cl5O2.
What is the molecular weight of (2,3,4,5,6-Pentachlorophenyl) propanoate?
The molecular weight of (2,3,4,5,6-Pentachlorophenyl) propanoate is 319.87 g/mol.
Where can I buy (2,3,4,5,6-Pentachlorophenyl) propanoate?
You can request a quote for (2,3,4,5,6-Pentachlorophenyl) propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3,4,5,6-Pentachlorophenyl) propanoate?
Yes, KEHONG BIO provides custom synthesis services for (2,3,4,5,6-Pentachlorophenyl) propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.