Allyl 2,2,2-Trichloroacetimidate
TL;DR: Allyl 2,2,2-Trichloroacetimidate (CAS 51479-73-3) is a chemical compound with molecular formula C5H6Cl3NO and molecular weight 200.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2,2,2-trichloroethanimidate
Also Known As: Allyl 2,2,2-Trichloroacetimidate, allyl trichloroacetimidate, O-ALLYL-2,2,2-TRICHLOROACETIMIDATE, allyltrichloroacetimidate, 2,2,2-trichloroacetimidate
| Molecular Formula | C5H6Cl3NO |
|---|---|
| Molecular Weight | 200.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.95149 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 51479-73-3 |
|---|---|
| SMILES | C=CCOC(=N)C(Cl)(Cl)Cl |
| InChIKey | UJYZRNWTLPBNOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl 2,2,2-Trichloroacetimidate (CAS 51479-73-3), with molecular formula C5H6Cl3NO and molecular weight 200.95 g/mol. IUPAC: prop-2-enyl 2,2,2-trichloroethanimidate.
Chemical Property Profile of Allyl 2,2,2-Trichloroacetimidate
Property Insights of Allyl 2,2,2-Trichloroacetimidate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 2,2,2-Trichloroacetimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Allyl 2,2,2-Trichloroacetimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 2,2,2-Trichloroacetimidate has 1 hydrogen bond donor(s) and 2 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 Allyl 2,2,2-Trichloroacetimidate?
The CAS number of Allyl 2,2,2-Trichloroacetimidate is 51479-73-3.
What is the molecular formula of Allyl 2,2,2-Trichloroacetimidate?
The molecular formula of Allyl 2,2,2-Trichloroacetimidate is C5H6Cl3NO.
What is the molecular weight of Allyl 2,2,2-Trichloroacetimidate?
The molecular weight of Allyl 2,2,2-Trichloroacetimidate is 200.95 g/mol.
Where can I buy Allyl 2,2,2-Trichloroacetimidate?
You can request a quote for Allyl 2,2,2-Trichloroacetimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 2,2,2-Trichloroacetimidate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 2,2,2-Trichloroacetimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.