1-Allyl-2,3,4,5,6-pentachlorobenzene
TL;DR: 1-Allyl-2,3,4,5,6-pentachlorobenzene (CAS 21685-04-1) is a chemical compound with molecular formula C9H5Cl5 and molecular weight 287.88 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-enylbenzene
Also Known As: 1-allyl-2,3,4,5,6-pentachlorobenzene, 1,2,3,4,5-pentachloro-6-prop-2-enylbenzene, 1,2,3,4,5-pentachloro-6-prop-2-enyl-benzene, 1,2,3,4,5-pentachloro-6-(prop-2-en-1-yl)benzene, 660-538-2
| Molecular Formula | C9H5Cl5 |
|---|---|
| Molecular Weight | 287.88 g/mol |
| LogP | 5.6821 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.8834 |
| Heavy Atoms | 14 |
| Complexity | 354.27408 |
Chemical Identifiers
| CAS Number | 21685-04-1 |
|---|---|
| SMILES | C=CCC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
Product Overview
1-Allyl-2,3,4,5,6-pentachlorobenzene (CAS 21685-04-1), with molecular formula C9H5Cl5 and molecular weight 287.88 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-prop-2-enylbenzene.
Chemical Property Profile of 1-Allyl-2,3,4,5,6-pentachlorobenzene
Property Insights of 1-Allyl-2,3,4,5,6-pentachlorobenzene
The XLogP value of 5.6821 indicates that 1-Allyl-2,3,4,5,6-pentachlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Allyl-2,3,4,5,6-pentachlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-2,3,4,5,6-pentachlorobenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Allyl-2,3,4,5,6-pentachlorobenzene?
The CAS number of 1-Allyl-2,3,4,5,6-pentachlorobenzene is 21685-04-1.
What is the molecular formula of 1-Allyl-2,3,4,5,6-pentachlorobenzene?
The molecular formula of 1-Allyl-2,3,4,5,6-pentachlorobenzene is C9H5Cl5.
What is the molecular weight of 1-Allyl-2,3,4,5,6-pentachlorobenzene?
The molecular weight of 1-Allyl-2,3,4,5,6-pentachlorobenzene is 287.88 g/mol.
Where can I buy 1-Allyl-2,3,4,5,6-pentachlorobenzene?
You can request a quote for 1-Allyl-2,3,4,5,6-pentachlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-2,3,4,5,6-pentachlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-2,3,4,5,6-pentachlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.