2-Chloroheptanal
TL;DR: 2-Chloroheptanal (CAS 63938-08-9) is a chemical compound with molecular formula C7H13ClO and molecular weight 148.06549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroheptanal
Also Known As: 2-chloroheptanal, Chloroheptanone, alpha-chloro-heptanal, EINECS 264-566-2
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H13ClO |
| Molecular Weight | 148.06549 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.06549 Da |
| Heavy Atoms | 9 |
| Complexity | 73.0 |
| SMILES | CCCCCC(C=O)Cl |
| InChIKey | BSVFHYAKJFPWMT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloroheptanal
Property Insights of 2-Chloroheptanal
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroheptanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chloroheptanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroheptanal has 0 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 2-Chloroheptanal?
The CAS number of 2-Chloroheptanal is 63938-08-9.
What is the molecular formula of 2-Chloroheptanal?
The molecular formula of 2-Chloroheptanal is C7H13ClO.
What is the molecular weight of 2-Chloroheptanal?
The molecular weight of 2-Chloroheptanal is 148.06549 g/mol.
Where can I buy 2-Chloroheptanal?
You can request a quote for 2-Chloroheptanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloroheptanal?
Yes, CoreyChem provides custom synthesis services for 2-Chloroheptanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.