Cinnamyl trichloroacetimidate
TL;DR: Cinnamyl trichloroacetimidate (CAS 51479-71-1) is a chemical compound with molecular formula C11H10Cl3NO and molecular weight 276.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylprop-2-enyl 2,2,2-trichloroethanimidate
Also Known As: cinnamyl trichloroacetimidate, 2,2,2-trichloro-1-cinnamyloxyethanimine, 3-phenylprop-2-enyl 2,2,2-trichloroethanimidate
| Molecular Formula | C11H10Cl3NO |
|---|---|
| Molecular Weight | 276.98 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.9828 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 51479-71-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CCOC(=N)C(Cl)(Cl)Cl |
| InChIKey | GLDKSYZZEFAGMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cinnamyl trichloroacetimidate (CAS 51479-71-1), with molecular formula C11H10Cl3NO and molecular weight 276.98 g/mol. IUPAC: 3-phenylprop-2-enyl 2,2,2-trichloroethanimidate.
Chemical Property Profile of Cinnamyl trichloroacetimidate
Property Insights of Cinnamyl trichloroacetimidate
The XLogP value of 4.2 indicates that Cinnamyl trichloroacetimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.1 Ų, Cinnamyl trichloroacetimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamyl 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 Cinnamyl trichloroacetimidate?
The CAS number of Cinnamyl trichloroacetimidate is 51479-71-1.
What is the molecular formula of Cinnamyl trichloroacetimidate?
The molecular formula of Cinnamyl trichloroacetimidate is C11H10Cl3NO.
What is the molecular weight of Cinnamyl trichloroacetimidate?
The molecular weight of Cinnamyl trichloroacetimidate is 276.98 g/mol.
Where can I buy Cinnamyl trichloroacetimidate?
You can request a quote for Cinnamyl trichloroacetimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamyl trichloroacetimidate?
Yes, KEHONG BIO provides custom synthesis services for Cinnamyl trichloroacetimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.