![3-Butenoic acid, 2-[(trichloroacetyl)amino]- structure](/static/products/896/89619-80-7.png)
3-Butenoic acid, 2-[(trichloroacetyl)amino]-
TL;DR: 3-Butenoic acid, 2-[(trichloroacetyl)amino]- (CAS 89619-80-7) is a chemical compound with molecular formula C6H6Cl3NO3 and molecular weight 244.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,2,2-trichloroacetyl)amino]but-3-enoic acid
Also Known As: 3-Butenoic acid, 2-[(trichloroacetyl)amino]-, 2-[(2,2,2-trichloroacetyl)amino]but-3-enoic acid, 2-(2,2,2-trichloroethanoylamino)but-3-enoic acid, 2-[(2,2,2-trichloro-acetyl)amino]-but-3-enoic acid, 2-Amino-2-trichloromethyl 1,3-Dioxa-cyclohept-5-ene
| Molecular Formula | C6H6Cl3NO3 |
|---|---|
| Molecular Weight | 244.94 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.94133 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 89619-80-7 |
|---|---|
| SMILES | C=CC(C(=O)O)NC(=O)C(Cl)(Cl)Cl |
| InChIKey | CLBNBIPMQNSLLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butenoic acid, 2-[(trichloroacetyl)amino]- (CAS 89619-80-7), with molecular formula C6H6Cl3NO3 and molecular weight 244.94 g/mol. IUPAC: 2-[(2,2,2-trichloroacetyl)amino]but-3-enoic acid.
Chemical Property Profile of 3-Butenoic acid, 2-[(trichloroacetyl)amino]-
Property Insights of 3-Butenoic acid, 2-[(trichloroacetyl)amino]-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenoic acid, 2-[(trichloroacetyl)amino]-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butenoic acid, 2-[(trichloroacetyl)amino]-. Following Lipinski's Rule of Five, 3-Butenoic acid, 2-[(trichloroacetyl)amino]- has 2 hydrogen bond donor(s) and 3 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 3-Butenoic acid, 2-[(trichloroacetyl)amino]-?
The CAS number of 3-Butenoic acid, 2-[(trichloroacetyl)amino]- is 89619-80-7.
What is the molecular formula of 3-Butenoic acid, 2-[(trichloroacetyl)amino]-?
The molecular formula of 3-Butenoic acid, 2-[(trichloroacetyl)amino]- is C6H6Cl3NO3.
What is the molecular weight of 3-Butenoic acid, 2-[(trichloroacetyl)amino]-?
The molecular weight of 3-Butenoic acid, 2-[(trichloroacetyl)amino]- is 244.94 g/mol.
Where can I buy 3-Butenoic acid, 2-[(trichloroacetyl)amino]-?
You can request a quote for 3-Butenoic acid, 2-[(trichloroacetyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenoic acid, 2-[(trichloroacetyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoic acid, 2-[(trichloroacetyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.