Phenol, pentachloro-, p-chlorobenzoate
TL;DR: Phenol, pentachloro-, p-chlorobenzoate (CAS 2948-12-1) is a chemical compound with molecular formula C13H4Cl6O2 and molecular weight 401.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) 4-chlorobenzoate
Also Known As: Phenol, p-chlorobenzoate, Pentachlorophenol p-chlorobenzoate, Phenol, pentachloro-, p-chlorobenzoate, Pentachlorophenyl-p-chlorobenzoate, pentachlorophenyl 4-chlorobenzoate
| Molecular Formula | C13H4Cl6O2 |
|---|---|
| Molecular Weight | 401.83 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.8313 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 2948-12-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | SMGVQZFGGUDSBZ-UHFFFAOYSA-N |
Product Overview
Phenol, pentachloro-, p-chlorobenzoate (CAS 2948-12-1), with molecular formula C13H4Cl6O2 and molecular weight 401.83 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) 4-chlorobenzoate.
Chemical Property Profile of Phenol, pentachloro-, p-chlorobenzoate
Property Insights of Phenol, pentachloro-, p-chlorobenzoate
The XLogP value of 7.1 indicates that Phenol, pentachloro-, p-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenol, pentachloro-, p-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, pentachloro-, p-chlorobenzoate 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 Phenol, pentachloro-, p-chlorobenzoate?
The CAS number of Phenol, pentachloro-, p-chlorobenzoate is 2948-12-1.
What is the molecular formula of Phenol, pentachloro-, p-chlorobenzoate?
The molecular formula of Phenol, pentachloro-, p-chlorobenzoate is C13H4Cl6O2.
What is the molecular weight of Phenol, pentachloro-, p-chlorobenzoate?
The molecular weight of Phenol, pentachloro-, p-chlorobenzoate is 401.83 g/mol.
Where can I buy Phenol, pentachloro-, p-chlorobenzoate?
You can request a quote for Phenol, pentachloro-, p-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, pentachloro-, p-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, pentachloro-, p-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.