Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate
TL;DR: Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate (CAS 35801-50-4) is a chemical compound with molecular formula C11H13Cl3N2O2 and molecular weight 310.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]carbamate
Also Known As: methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate, AJ-087/15497026, methyl N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]carbamate
| Molecular Formula | C11H13Cl3N2O2 |
|---|---|
| Molecular Weight | 310.00 g/mol |
| LogP | 3.45922 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.00427 |
| Heavy Atoms | 18 |
| Complexity | 403.7445 |
Chemical Identifiers
| CAS Number | 35801-50-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)OC |
Product Overview
Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate (CAS 35801-50-4), with molecular formula C11H13Cl3N2O2 and molecular weight 310.00 g/mol. IUPAC: methyl N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]carbamate.
Chemical Property Profile of Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate
Property Insights of Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate
The XLogP value of 3.45922 indicates that Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate 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 Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate?
The CAS number of Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate is 35801-50-4.
What is the molecular formula of Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate?
The molecular formula of Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate is C11H13Cl3N2O2.
What is the molecular weight of Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate?
The molecular weight of Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate is 310.00 g/mol.
Where can I buy Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate?
You can request a quote for Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate 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-trichloro-1-(4-toluidino)ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2,2-trichloro-1-(4-toluidino)ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.