2,2,2-trichloroethyl N-benzoylcarbamate
TL;DR: 2,2,2-trichloroethyl N-benzoylcarbamate (CAS 147357-78-6) is a chemical compound with molecular formula C10H8Cl3NO3 and molecular weight 294.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl N-benzoylcarbamate
Also Known As: 2,2,2-trichloroethyl N-benzoylcarbamate, 2,2,2-trichloroethyl benzoylcarbamate, J2.500.201F, Benzoylcarbamic acid 2,2,2-trichloroethyl ester
| Molecular Formula | C10H8Cl3NO3 |
|---|---|
| Molecular Weight | 294.96 g/mol |
| LogP | 2.9232 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.95697 |
| Heavy Atoms | 17 |
| Complexity | 403.0072 |
Chemical Identifiers
| CAS Number | 147357-78-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=O)OCC(Cl)(Cl)Cl |
Product Overview
2,2,2-trichloroethyl N-benzoylcarbamate (CAS 147357-78-6), with molecular formula C10H8Cl3NO3 and molecular weight 294.96 g/mol. IUPAC: 2,2,2-trichloroethyl N-benzoylcarbamate.
Chemical Property Profile of 2,2,2-trichloroethyl N-benzoylcarbamate
Property Insights of 2,2,2-trichloroethyl N-benzoylcarbamate
The XLogP value of 2.9232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-trichloroethyl N-benzoylcarbamate. With a topological polar surface area (TPSA) of 55.4 Ų, 2,2,2-trichloroethyl N-benzoylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trichloroethyl N-benzoylcarbamate 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 2,2,2-trichloroethyl N-benzoylcarbamate?
The CAS number of 2,2,2-trichloroethyl N-benzoylcarbamate is 147357-78-6.
What is the molecular formula of 2,2,2-trichloroethyl N-benzoylcarbamate?
The molecular formula of 2,2,2-trichloroethyl N-benzoylcarbamate is C10H8Cl3NO3.
What is the molecular weight of 2,2,2-trichloroethyl N-benzoylcarbamate?
The molecular weight of 2,2,2-trichloroethyl N-benzoylcarbamate is 294.96 g/mol.
Where can I buy 2,2,2-trichloroethyl N-benzoylcarbamate?
You can request a quote for 2,2,2-trichloroethyl N-benzoylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trichloroethyl N-benzoylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trichloroethyl N-benzoylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.