Pentachlorophenyl 2-chloro-2-methylpropanoate
TL;DR: Pentachlorophenyl 2-chloro-2-methylpropanoate (CAS 7399-14-6) is a chemical compound with molecular formula C10H6Cl6O2 and molecular weight 367.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) 2-chloro-2-methylpropanoate
Also Known As: pentachlorophenyl 2-chloro-2-methylpropanoate, (2,3,4,5,6-pentachlorophenyl) 2-chloro-2-methylpropanoate
| Molecular Formula | C10H6Cl6O2 |
|---|---|
| Molecular Weight | 367.85 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.84988 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 7399-14-6 |
|---|---|
| SMILES | CC(C)(C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | SYDVCIYNOQRLFQ-UHFFFAOYSA-N |
Product Overview
Pentachlorophenyl 2-chloro-2-methylpropanoate (CAS 7399-14-6), with molecular formula C10H6Cl6O2 and molecular weight 367.85 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) 2-chloro-2-methylpropanoate.
Chemical Property Profile of Pentachlorophenyl 2-chloro-2-methylpropanoate
Property Insights of Pentachlorophenyl 2-chloro-2-methylpropanoate
The XLogP value of 6.0 indicates that Pentachlorophenyl 2-chloro-2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentachlorophenyl 2-chloro-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenyl 2-chloro-2-methylpropanoate 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 Pentachlorophenyl 2-chloro-2-methylpropanoate?
The CAS number of Pentachlorophenyl 2-chloro-2-methylpropanoate is 7399-14-6.
What is the molecular formula of Pentachlorophenyl 2-chloro-2-methylpropanoate?
The molecular formula of Pentachlorophenyl 2-chloro-2-methylpropanoate is C10H6Cl6O2.
What is the molecular weight of Pentachlorophenyl 2-chloro-2-methylpropanoate?
The molecular weight of Pentachlorophenyl 2-chloro-2-methylpropanoate is 367.85 g/mol.
Where can I buy Pentachlorophenyl 2-chloro-2-methylpropanoate?
You can request a quote for Pentachlorophenyl 2-chloro-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenyl 2-chloro-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenyl 2-chloro-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.