2-Heptyne, 1-chloro-
TL;DR: 2-Heptyne, 1-chloro- (CAS 100859-51-6) is a chemical compound with molecular formula C7H11Cl and molecular weight 130.05493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chlorohept-2-yne
Also Known As: 1-chlorohept-2-yne, 2-Heptyne, 1-chloro-, 1-Chloro-2-heptyne, 2-Heptynyl chloride, 1-chloro-hept-2-yne
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H11Cl |
| Molecular Weight | 130.05493 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.05493 Da |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
| SMILES | CCCCC#CCCl |
| InChIKey | ZFOFWJPYDYZWCS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Heptyne, 1-chloro-
Property Insights of 2-Heptyne, 1-chloro-
The XLogP value of 3.0 indicates that 2-Heptyne, 1-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Heptyne, 1-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptyne, 1-chloro- 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 2-Heptyne, 1-chloro-?
The CAS number of 2-Heptyne, 1-chloro- is 100859-51-6.
What is the molecular formula of 2-Heptyne, 1-chloro-?
The molecular formula of 2-Heptyne, 1-chloro- is C7H11Cl.
What is the molecular weight of 2-Heptyne, 1-chloro-?
The molecular weight of 2-Heptyne, 1-chloro- is 130.05493 g/mol.
Where can I buy 2-Heptyne, 1-chloro-?
You can request a quote for 2-Heptyne, 1-chloro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Heptyne, 1-chloro-?
Yes, CoreyChem provides custom synthesis services for 2-Heptyne, 1-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.