2,2,4-Trichlorobutanal
TL;DR: 2,2,4-Trichlorobutanal (CAS 87459-26-5) is a chemical compound with molecular formula C4H5Cl3O and molecular weight 173.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trichlorobutanal
Also Known As: 2,2,4-trichlorobutanal, starbld0006052, Butanal,2,2,4-trichloro-, 2,2,4-Trichlorobutanal,97, 2,2,4-Trichlorobutanal, 97
| Molecular Formula | C4H5Cl3O |
|---|---|
| Molecular Weight | 173.94 g/mol |
| LogP | 1.9881 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.9406 |
| Heavy Atoms | 8 |
| Complexity | 81.35261 |
Chemical Identifiers
| CAS Number | 87459-26-5 |
|---|---|
| SMILES | C(CCl)C(C=O)(Cl)Cl |
Product Overview
2,2,4-Trichlorobutanal (CAS 87459-26-5), with molecular formula C4H5Cl3O and molecular weight 173.94 g/mol. IUPAC: 2,2,4-trichlorobutanal.
Chemical Property Profile of 2,2,4-Trichlorobutanal
Property Insights of 2,2,4-Trichlorobutanal
The XLogP value of 1.9881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-Trichlorobutanal. With a topological polar surface area (TPSA) of 17.07 Ų, 2,2,4-Trichlorobutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trichlorobutanal 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 2,2,4-Trichlorobutanal?
The CAS number of 2,2,4-Trichlorobutanal is 87459-26-5.
What is the molecular formula of 2,2,4-Trichlorobutanal?
The molecular formula of 2,2,4-Trichlorobutanal is C4H5Cl3O.
What is the molecular weight of 2,2,4-Trichlorobutanal?
The molecular weight of 2,2,4-Trichlorobutanal is 173.94 g/mol.
Where can I buy 2,2,4-Trichlorobutanal?
You can request a quote for 2,2,4-Trichlorobutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trichlorobutanal?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trichlorobutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.