![N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide structure](/static/products/4454/445419-31-8.webp)
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
TL;DR: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide (CAS 445419-31-8) is a chemical compound with molecular formula C21H16ClFN2OS and molecular weight 398.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
Also Known As: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide, AN-465/41166635, N-(3-chloro-4-fluorophenyl)-N'-(diphenylacetyl)thiourea
| Molecular Formula | C21H16ClFN2OS |
|---|---|
| Molecular Weight | 398.07 g/mol |
| LogP | 5.1242 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.06558 |
| Heavy Atoms | 27 |
| Complexity | 911.41016 |
Chemical Identifiers
| CAS Number | 445419-31-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)F)Cl |
Product Overview
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide (CAS 445419-31-8), with molecular formula C21H16ClFN2OS and molecular weight 398.07 g/mol. IUPAC: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide.
Chemical Property Profile of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
Property Insights of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
The XLogP value of 5.1242 indicates that N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide?
The CAS number of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide is 445419-31-8.
What is the molecular formula of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide?
The molecular formula of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide is C21H16ClFN2OS.
What is the molecular weight of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide?
The molecular weight of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide is 398.07 g/mol.
Where can I buy N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide?
You can request a quote for N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.