![Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester structure](/static/products/896/89619-79-4.png)
Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester
TL;DR: Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester (CAS 89619-79-4) is a chemical compound with molecular formula C8H7Cl6NO3 and molecular weight 374.86 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-enyl 2,2,2-trichloroacetate
Also Known As: Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester, 2-Amino-2-trichloromethyl 1,3-Dioxa-cyclohept-5-ene, 2-[(2,2,2-trichloroacetyl)amino]but-3-enyl 2,2,2-trichloroacetate, 2-(2,2,2-Trichloroacetamido)but-3-en-1-yl trichloroacetate
| Molecular Formula | C8H7Cl6NO3 |
|---|---|
| Molecular Weight | 374.86 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.8557 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 89619-79-4 |
|---|---|
| SMILES | C=CC(COC(=O)C(Cl)(Cl)Cl)NC(=O)C(Cl)(Cl)Cl |
| InChIKey | GBEZKWDSIBBMNI-UHFFFAOYSA-N |
Product Overview
Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester (CAS 89619-79-4), with molecular formula C8H7Cl6NO3 and molecular weight 374.86 g/mol. IUPAC: 2-[(2,2,2-trichloroacetyl)amino]but-3-enyl 2,2,2-trichloroacetate.
Chemical Property Profile of Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester
Property Insights of Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester
The XLogP value of 3.8 indicates that Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester has 1 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 Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester?
The CAS number of Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester is 89619-79-4.
What is the molecular formula of Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester?
The molecular formula of Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester is C8H7Cl6NO3.
What is the molecular weight of Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester?
The molecular weight of Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester is 374.86 g/mol.
Where can I buy Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester?
You can request a quote for Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.