4-Bromoheptane
TL;DR: 4-Bromoheptane (CAS 998-93-6) is a chemical compound with molecular formula C7H15Br and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromoheptane
Also Known As: 4-Bromoheptane, Heptane, 4-bromo-, 4-bromo-heptane, 4-bromo-heptan, Bromo-4-heptane
| Molecular Formula | C7H15Br |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.0357 |
| Heavy Atoms | 8 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 998-93-6 |
|---|---|
| SMILES | CCCC(CCC)Br |
| InChIKey | BNUTXEKPXPZAIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromoheptane (CAS 998-93-6), with molecular formula C7H15Br and molecular weight 178.04 g/mol. IUPAC: 4-bromoheptane.
Chemical Property Profile of 4-Bromoheptane
Property Insights of 4-Bromoheptane
The XLogP value of 3.6 indicates that 4-Bromoheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Bromoheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromoheptane 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 4-Bromoheptane?
The CAS number of 4-Bromoheptane is 998-93-6.
What is the molecular formula of 4-Bromoheptane?
The molecular formula of 4-Bromoheptane is C7H15Br.
What is the molecular weight of 4-Bromoheptane?
The molecular weight of 4-Bromoheptane is 178.04 g/mol.
Where can I buy 4-Bromoheptane?
You can request a quote for 4-Bromoheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromoheptane?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromoheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.