Pentanal, 2,2,5-trichloro-
TL;DR: Pentanal, 2,2,5-trichloro- (CAS 119450-49-6) is a chemical compound with molecular formula C5H7Cl3O and molecular weight 187.95625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,5-trichloropentanal
Also Known As: 2,2,5-trichloropentanal, Pentanal, 2,2,5-trichloro-, Pentanal,2,2,5-trichloro, J2.430.469H
Technical Specifications
| Molecular Formula | C5H7Cl3O |
| Molecular Weight | 187.95625 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.95625 Da |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
| SMILES | C(CC(C=O)(Cl)Cl)CCl |
| InChIKey | UATQNOMDTDLLFD-UHFFFAOYSA-N |
Chemical Property Profile of Pentanal, 2,2,5-trichloro-
Property Insights of Pentanal, 2,2,5-trichloro-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanal, 2,2,5-trichloro-. With a topological polar surface area (TPSA) of 17.1 Ų, Pentanal, 2,2,5-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanal, 2,2,5-trichloro- 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 Pentanal, 2,2,5-trichloro-?
The CAS number of Pentanal, 2,2,5-trichloro- is 119450-49-6.
What is the molecular formula of Pentanal, 2,2,5-trichloro-?
The molecular formula of Pentanal, 2,2,5-trichloro- is C5H7Cl3O.
What is the molecular weight of Pentanal, 2,2,5-trichloro-?
The molecular weight of Pentanal, 2,2,5-trichloro- is 187.95625 g/mol.
Where can I buy Pentanal, 2,2,5-trichloro-?
You can request a quote for Pentanal, 2,2,5-trichloro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentanal, 2,2,5-trichloro-?
Yes, CoreyChem provides custom synthesis services for Pentanal, 2,2,5-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.