3-Bromoheptane
TL;DR: 3-Bromoheptane (CAS 1974-05-6) is a chemical compound with molecular formula C7H15Br and molecular weight 178.0357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromoheptane
Also Known As: 3-BROMOHEPTANE, Heptane, 3-bromo-, 3-Heptyl Bromide, I14-92220, Phenylmethyl[S-(R,S)]-[1-oxiranyl-2-(phenylthio)ethyl]carbamate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H15Br |
| Molecular Weight | 178.0357 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.0357 Da |
| Heavy Atoms | 8 |
| Complexity | 43.0 |
| SMILES | CCCCC(CC)Br |
| InChIKey | MLHXKYLLJRLHGH-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromoheptane
Property Insights of 3-Bromoheptane
The XLogP value of 3.7 indicates that 3-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, 3-Bromoheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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
What is the CAS number of 3-Bromoheptane?
The CAS number of 3-Bromoheptane is 1974-05-6.
What is the molecular formula of 3-Bromoheptane?
The molecular formula of 3-Bromoheptane is C7H15Br.
What is the molecular weight of 3-Bromoheptane?
The molecular weight of 3-Bromoheptane is 178.0357 g/mol.
Where can I buy 3-Bromoheptane?
You can request a quote for 3-Bromoheptane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromoheptane?
Yes, CoreyChem provides custom synthesis services for 3-Bromoheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.