4-Hydroperoxy-n-heptane
TL;DR: 4-Hydroperoxy-n-heptane (CAS 761-40-0) is a chemical compound with molecular formula CCCC(CCC)OO and molecular weight 132.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroperoxyheptane
Also Known As: 4-Hydroperoxy-n-heptane, heptane-4-peroxol, 4-hydroperoxyheptane, Heptane-4-yl hydroperoxide, J3.617.409I
| Molecular Formula | CCCC(CCC)OO |
|---|---|
| Molecular Weight | 132.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.11504 |
| Heavy Atoms | 9 |
| Complexity | 48.0 |
Chemical Identifiers
| CAS Number | 761-40-0 |
|---|---|
| SMILES | CCCC(CCC)OO |
| InChIKey | MRKPKEMCNSQLLX-UHFFFAOYSA-N |
Product Overview
4-Hydroperoxy-n-heptane (CAS 761-40-0), with molecular formula CCCC(CCC)OO and molecular weight 132.12 g/mol. IUPAC: 4-hydroperoxyheptane.
Chemical Property Profile of 4-Hydroperoxy-n-heptane
Property Insights of 4-Hydroperoxy-n-heptane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroperoxy-n-heptane. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Hydroperoxy-n-heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroperoxy-n-heptane has 1 hydrogen bond donor(s) and 2 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 4-Hydroperoxy-n-heptane?
The CAS number of 4-Hydroperoxy-n-heptane is 761-40-0.
What is the molecular formula of 4-Hydroperoxy-n-heptane?
The molecular formula of 4-Hydroperoxy-n-heptane is CCCC(CCC)OO.
What is the molecular weight of 4-Hydroperoxy-n-heptane?
The molecular weight of 4-Hydroperoxy-n-heptane is 132.12 g/mol.
Where can I buy 4-Hydroperoxy-n-heptane?
You can request a quote for 4-Hydroperoxy-n-heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroperoxy-n-heptane?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroperoxy-n-heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.