![N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide structure](/static/products/4284/428458-13-3.webp)
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide
TL;DR: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide (CAS 428458-13-3) is a chemical compound with molecular formula C21H17ClN2O2S and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide
Also Known As: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide, N-{[4-(4-chlorophenoxy)phenyl]carbamothioyl}-2-methylbenzamide, N-({[4-(4-chlorophenoxy)phenyl]amino}carbonothioyl)-2-methylbenzamide, N-[4-(4-chlorophenoxy)phenyl]-N'-(2-methylbenzoyl)thiourea, 1-[4-(4-CHLOROPHENOXY)PHENYL]-3-(2-METHYLBENZOYL)THIOUREA
| Molecular Formula | C21H17ClN2O2S |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 5.56752 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.06992 |
| Heavy Atoms | 27 |
| Complexity | 956.6754 |
Chemical Identifiers
| CAS Number | 428458-13-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl |
Product Overview
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide (CAS 428458-13-3), with molecular formula C21H17ClN2O2S and molecular weight 396.07 g/mol. IUPAC: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide.
Chemical Property Profile of N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide
Property Insights of N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide
The XLogP value of 5.56752 indicates that N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide?
The CAS number of N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide is 428458-13-3.
What is the molecular formula of N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide?
The molecular formula of N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide is C21H17ClN2O2S.
What is the molecular weight of N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide?
The molecular weight of N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide is 396.07 g/mol.
Where can I buy N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide?
You can request a quote for N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.