4,4,4-Trichlorobutanamide
TL;DR: 4,4,4-Trichlorobutanamide (CAS 25236-71-9) is a chemical compound with molecular formula C4H6Cl3NO and molecular weight 188.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trichlorobutanamide
Also Known As: 4,4,4-Trichlorobutanamide, 4,4,4-Trichlorobutyramide, 4,4,4-Trichlorobutanamide #, 4,4,4-trichloro-butyric acid amide, J1.407.642E
| Molecular Formula | C4H6Cl3NO |
|---|---|
| Molecular Weight | 188.95 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.95149 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 25236-71-9 |
|---|---|
| SMILES | C(CC(Cl)(Cl)Cl)C(=O)N |
| InChIKey | SEKJQGZTJRBYTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trichlorobutanamide (CAS 25236-71-9), with molecular formula C4H6Cl3NO and molecular weight 188.95 g/mol. IUPAC: 4,4,4-trichlorobutanamide.
Chemical Property Profile of 4,4,4-Trichlorobutanamide
Property Insights of 4,4,4-Trichlorobutanamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trichlorobutanamide. With a topological polar surface area (TPSA) of 43.1 Ų, 4,4,4-Trichlorobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trichlorobutanamide has 1 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 4,4,4-Trichlorobutanamide?
The CAS number of 4,4,4-Trichlorobutanamide is 25236-71-9.
What is the molecular formula of 4,4,4-Trichlorobutanamide?
The molecular formula of 4,4,4-Trichlorobutanamide is C4H6Cl3NO.
What is the molecular weight of 4,4,4-Trichlorobutanamide?
The molecular weight of 4,4,4-Trichlorobutanamide is 188.95 g/mol.
Where can I buy 4,4,4-Trichlorobutanamide?
You can request a quote for 4,4,4-Trichlorobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trichlorobutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trichlorobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.