N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea
TL;DR: N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea (CAS 340264-12-2) is a chemical compound with molecular formula C9H5F5N2O2 and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-difluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide
Also Known As: N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea, AP-906/42709409, N-(3,4-Difluorophenyl)-N/'-(trifluoroacetyl)urea, N-[(3,4-difluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide
| Molecular Formula | C9H5F5N2O2 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.02713 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 340264-12-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)NC(=O)C(F)(F)F)F)F |
| InChIKey | ODGWOQMQVFBFHO-UHFFFAOYSA-N |
Product Overview
N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea (CAS 340264-12-2), with molecular formula C9H5F5N2O2 and molecular weight 268.03 g/mol. IUPAC: N-[(3,4-difluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea
Property Insights of N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea. With a topological polar surface area (TPSA) of 58.2 Ų, N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea has 2 hydrogen bond donor(s) and 7 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 N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea?
The CAS number of N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea is 340264-12-2.
What is the molecular formula of N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea?
The molecular formula of N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea is C9H5F5N2O2.
What is the molecular weight of N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea?
The molecular weight of N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea is 268.03 g/mol.
Where can I buy N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea?
You can request a quote for N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-difluorophenyl)-N'-(trifluoroacetyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.