o-Iodocumene
TL;DR: o-Iodocumene (CAS 19099-54-8) is a chemical compound with molecular formula C9H11I and molecular weight 245.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-2-propan-2-ylbenzene
Also Known As: 2-Iodoisopropylbenzene, 1-iodo-2-isopropylbenzene, 2-Iodocumene, o-Iodocumene, 1-iodo-2-propan-2-ylbenzene
| Molecular Formula | C9H11I |
|---|---|
| Molecular Weight | 245.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.99055 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 19099-54-8 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1I |
| InChIKey | SORQIYFSJAWBNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Iodocumene (CAS 19099-54-8), with molecular formula C9H11I and molecular weight 245.99 g/mol. IUPAC: 1-iodo-2-propan-2-ylbenzene.
Chemical Property Profile of o-Iodocumene
Property Insights of o-Iodocumene
The XLogP value of 3.7 indicates that o-Iodocumene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, o-Iodocumene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Iodocumene 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 o-Iodocumene?
The CAS number of o-Iodocumene is 19099-54-8.
What is the molecular formula of o-Iodocumene?
The molecular formula of o-Iodocumene is C9H11I.
What is the molecular weight of o-Iodocumene?
The molecular weight of o-Iodocumene is 245.99 g/mol.
Where can I buy o-Iodocumene?
You can request a quote for o-Iodocumene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Iodocumene?
Yes, KEHONG BIO provides custom synthesis services for o-Iodocumene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.