(Allyloxy)pentachlorobenzene
TL;DR: (Allyloxy)pentachlorobenzene (CAS 42115-15-1) is a chemical compound with molecular formula C9H5Cl5O and molecular weight 303.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentachloro-6-prop-2-enoxybenzene
Also Known As: (Allyloxy)pentachlorobenzene, PENTACHLOROBENZENE, allyl pentachlorophenyl ether, allyl-pentachlorophenyl ether, 1,2,3,4,5-pentachloro-6-prop-2-enoxybenzene
| Molecular Formula | C9H5Cl5O |
|---|---|
| Molecular Weight | 303.88 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.87537 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 42115-15-1 |
|---|---|
| SMILES | C=CCOC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | AQLVKMXNZBBWJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Allyloxy)pentachlorobenzene (CAS 42115-15-1), with molecular formula C9H5Cl5O and molecular weight 303.88 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-prop-2-enoxybenzene.
Chemical Property Profile of (Allyloxy)pentachlorobenzene
Property Insights of (Allyloxy)pentachlorobenzene
The XLogP value of 5.7 indicates that (Allyloxy)pentachlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, (Allyloxy)pentachlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Allyloxy)pentachlorobenzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Allyloxy)pentachlorobenzene?
The CAS number of (Allyloxy)pentachlorobenzene is 42115-15-1.
What is the molecular formula of (Allyloxy)pentachlorobenzene?
The molecular formula of (Allyloxy)pentachlorobenzene is C9H5Cl5O.
What is the molecular weight of (Allyloxy)pentachlorobenzene?
The molecular weight of (Allyloxy)pentachlorobenzene is 303.88 g/mol.
Where can I buy (Allyloxy)pentachlorobenzene?
You can request a quote for (Allyloxy)pentachlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Allyloxy)pentachlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for (Allyloxy)pentachlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.