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 187.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5-trichloropentanal
Also Known As: 2,2,5-trichloropentanal, Pentanal, 2,2,5-trichloro-, Pentanal,2,2,5-trichloro, J2.430.469H, RefChem:368030
| Molecular Formula | C5H7Cl3O |
|---|---|
| Molecular Weight | 187.96 g/mol |
| LogP | 2.3782 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.95625 |
| Heavy Atoms | 9 |
| Complexity | 92.203896 |
Chemical Identifiers
| CAS Number | 119450-49-6 |
|---|---|
| SMILES | C(CC(C=O)(Cl)Cl)CCl |
Product Overview
Pentanal, 2,2,5-trichloro- (CAS 119450-49-6), with molecular formula C5H7Cl3O and molecular weight 187.96 g/mol. IUPAC: 2,2,5-trichloropentanal.
Chemical Property Profile of Pentanal, 2,2,5-trichloro-
Property Insights of Pentanal, 2,2,5-trichloro-
The XLogP value of 2.3782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanal, 2,2,5-trichloro-. With a topological polar surface area (TPSA) of 17.07 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
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 187.96 g/mol.
Where can I buy Pentanal, 2,2,5-trichloro-?
You can request a quote for Pentanal, 2,2,5-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanal, 2,2,5-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for Pentanal, 2,2,5-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.