Methyl 2,2,2-trichloroacetimidate
TL;DR: Methyl 2,2,2-trichloroacetimidate (CAS 2533-69-9) is a chemical compound with molecular formula C3H4Cl3NO and molecular weight 174.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,2-trichloroethanimidate
Also Known As: Methyl 2,2,2-trichloroacetimidate, methyl 2,2,2-trichloroethanimidate, methyltrichloroacetimidate, methyl trichloroacetoimidate, METHYL TRICHLOROACETIMIDATE
| Molecular Formula | C3H4Cl3NO |
|---|---|
| Molecular Weight | 174.94 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.93585 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 2533-69-9 |
|---|---|
| SMILES | COC(=N)C(Cl)(Cl)Cl |
| InChIKey | OGBINJLTBZWRRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,2,2-trichloroacetimidate (CAS 2533-69-9), with molecular formula C3H4Cl3NO and molecular weight 174.94 g/mol. IUPAC: methyl 2,2,2-trichloroethanimidate.
Chemical Property Profile of Methyl 2,2,2-trichloroacetimidate
Property Insights of Methyl 2,2,2-trichloroacetimidate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2,2-trichloroacetimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Methyl 2,2,2-trichloroacetimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 2,2,2-trichloroacetimidate?
The CAS number of Methyl 2,2,2-trichloroacetimidate is 2533-69-9.
What is the molecular formula of Methyl 2,2,2-trichloroacetimidate?
The molecular formula of Methyl 2,2,2-trichloroacetimidate is C3H4Cl3NO.
What is the molecular weight of Methyl 2,2,2-trichloroacetimidate?
The molecular weight of Methyl 2,2,2-trichloroacetimidate is 174.94 g/mol.
Where can I buy Methyl 2,2,2-trichloroacetimidate?
You can request a quote for Methyl 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 Methyl 2,2,2-trichloroacetimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2,2-trichloroacetimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.