3-Iodohexane
TL;DR: 3-Iodohexane (CAS 31294-91-4) is a chemical compound with molecular formula C6H13I and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodohexane
Also Known As: 3-Iodohexane, Hexane, 3-iodo-, 3-Didohexane, 3-iodo-hexane, 3-Jodhexan
| Molecular Formula | C6H13I |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.0062 |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 31294-91-4 |
|---|---|
| SMILES | CCCC(CC)I |
| InChIKey | QQKICFXKOIDMSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Iodohexane (CAS 31294-91-4), with molecular formula C6H13I and molecular weight 212.01 g/mol. IUPAC: 3-iodohexane.
Chemical Property Profile of 3-Iodohexane
Property Insights of 3-Iodohexane
The XLogP value of 3.9 indicates that 3-Iodohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Iodohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodohexane 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 3-Iodohexane?
The CAS number of 3-Iodohexane is 31294-91-4.
What is the molecular formula of 3-Iodohexane?
The molecular formula of 3-Iodohexane is C6H13I.
What is the molecular weight of 3-Iodohexane?
The molecular weight of 3-Iodohexane is 212.01 g/mol.
Where can I buy 3-Iodohexane?
You can request a quote for 3-Iodohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodohexane?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.