Pentamethyliodobenzene
TL;DR: Pentamethyliodobenzene (CAS 3853-91-6) is a chemical compound with molecular formula C11H15I and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-2,3,4,5,6-pentamethylbenzene
Also Known As: Pentamethyliodobenzene, 1-iodo-2,3,4,5,6-pentamethylbenzene, Iodopentamethylbenzene, iodo-pentamethyl-benzene, Benzene, iodopentamethyl-
| Molecular Formula | C11H15I |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.02185 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 3853-91-6 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)I)C)C |
| InChIKey | UXHBVYKGPRUHKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentamethyliodobenzene (CAS 3853-91-6), with molecular formula C11H15I and molecular weight 274.02 g/mol. IUPAC: 1-iodo-2,3,4,5,6-pentamethylbenzene.
Chemical Property Profile of Pentamethyliodobenzene
Property Insights of Pentamethyliodobenzene
The XLogP value of 4.4 indicates that Pentamethyliodobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentamethyliodobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentamethyliodobenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentamethyliodobenzene?
The CAS number of Pentamethyliodobenzene is 3853-91-6.
What is the molecular formula of Pentamethyliodobenzene?
The molecular formula of Pentamethyliodobenzene is C11H15I.
What is the molecular weight of Pentamethyliodobenzene?
The molecular weight of Pentamethyliodobenzene is 274.02 g/mol.
Where can I buy Pentamethyliodobenzene?
You can request a quote for Pentamethyliodobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamethyliodobenzene?
Yes, KEHONG BIO provides custom synthesis services for Pentamethyliodobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.