1-Hepten-3-ol, 3-(bromoethynyl)-
TL;DR: 1-Hepten-3-ol, 3-(bromoethynyl)- (CAS 100860-63-7) is a chemical compound with molecular formula C9H13BrO and molecular weight 216.01498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-bromoethynyl)hept-1-en-3-ol
Also Known As: 3-(Bromoethynyl)-1-hepten-3-ol, 3-(2-bromoethynyl)hept-1-en-3-ol, 1-HEPTEN-3-OL, 3-(BROMOETHYNYL)-, 3-(bromoethynyl)hept-1-en-3-ol, 4-01-00-02322 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C9H13BrO |
| Molecular Weight | 216.01498 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.01498 Da |
| Heavy Atoms | 11 |
| Complexity | 186.0 |
| SMILES | CCCCC(C=C)(C#CBr)O |
| InChIKey | FIDYSNVOHNGRHY-UHFFFAOYSA-N |
Chemical Property Profile of 1-Hepten-3-ol, 3-(bromoethynyl)-
Property Insights of 1-Hepten-3-ol, 3-(bromoethynyl)-
The XLogP value of 3.2 indicates that 1-Hepten-3-ol, 3-(bromoethynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Hepten-3-ol, 3-(bromoethynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hepten-3-ol, 3-(bromoethynyl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Hepten-3-ol, 3-(bromoethynyl)-?
The CAS number of 1-Hepten-3-ol, 3-(bromoethynyl)- is 100860-63-7.
What is the molecular formula of 1-Hepten-3-ol, 3-(bromoethynyl)-?
The molecular formula of 1-Hepten-3-ol, 3-(bromoethynyl)- is C9H13BrO.
What is the molecular weight of 1-Hepten-3-ol, 3-(bromoethynyl)-?
The molecular weight of 1-Hepten-3-ol, 3-(bromoethynyl)- is 216.01498 g/mol.
Where can I buy 1-Hepten-3-ol, 3-(bromoethynyl)-?
You can request a quote for 1-Hepten-3-ol, 3-(bromoethynyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Hepten-3-ol, 3-(bromoethynyl)-?
Yes, CoreyChem provides custom synthesis services for 1-Hepten-3-ol, 3-(bromoethynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.