3-Iodoheptane
TL;DR: 3-Iodoheptane (CAS 31294-92-5) is a chemical compound with molecular formula C7H15I and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodoheptane
Also Known As: 3-iodoheptane, Heptane, 3-iodo-, 5-iodoheptane, 3-Jodheptan, 969-077-4
| Molecular Formula | C7H15I |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.02185 |
| Heavy Atoms | 8 |
| Complexity | 43.0 |
Chemical Identifiers
| CAS Number | 31294-92-5 |
|---|---|
| SMILES | CCCCC(CC)I |
| InChIKey | LVPGHYVXKUXNQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Iodoheptane (CAS 31294-92-5), with molecular formula C7H15I and molecular weight 226.02 g/mol. IUPAC: 3-iodoheptane.
Chemical Property Profile of 3-Iodoheptane
Property Insights of 3-Iodoheptane
The XLogP value of 4.5 indicates that 3-Iodoheptane 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-Iodoheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodoheptane 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-Iodoheptane?
The CAS number of 3-Iodoheptane is 31294-92-5.
What is the molecular formula of 3-Iodoheptane?
The molecular formula of 3-Iodoheptane is C7H15I.
What is the molecular weight of 3-Iodoheptane?
The molecular weight of 3-Iodoheptane is 226.02 g/mol.
Where can I buy 3-Iodoheptane?
You can request a quote for 3-Iodoheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodoheptane?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodoheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.