![N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea structure](/static/products/6809/6809-49-0.webp)
N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
TL;DR: N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea (CAS 6809-49-0) is a chemical compound with molecular formula C29H28Cl2FN3S and molecular weight 539.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-fluorophenyl)-1-[2-(4-chlorophenyl)ethyl]-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]thiourea
Also Known As: N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea, 3-(3-CHLORO-4-FLUOROPHENYL)-1-[2-(4-CHLOROPHENYL)ETHYL]-1-({1-[(2,4-DIMETHYLPHENYL)METHYL]-1H-PYRROL-2-YL}METHYL)THIOUREA, 3-(3-chloro-4-fluorophenyl)-1-[2-(4-chlorophenyl)ethyl]-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]thiourea
| Molecular Formula | C29H28Cl2FN3S |
|---|---|
| Molecular Weight | 539.14 g/mol |
| LogP | 8.04084 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.1365 |
| Heavy Atoms | 36 |
| Complexity | 1351.1439 |
Chemical Identifiers
| CAS Number | 6809-49-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CN2C=CC=C2CN(CCC3=CC=C(C=C3)Cl)C(=S)NC4=CC(=C(C=C4)F)Cl)C |
Product Overview
N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea (CAS 6809-49-0), with molecular formula C29H28Cl2FN3S and molecular weight 539.14 g/mol. IUPAC: 3-(3-chloro-4-fluorophenyl)-1-[2-(4-chlorophenyl)ethyl]-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]thiourea.
Chemical Property Profile of N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Property Insights of N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
The XLogP value of 8.04084 indicates that N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea has 1 hydrogen bond donor(s) and 1 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)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea?
The CAS number of N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea is 6809-49-0.
What is the molecular formula of N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea?
The molecular formula of N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea is C29H28Cl2FN3S.
What is the molecular weight of N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea?
The molecular weight of N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea is 539.14 g/mol.
Where can I buy N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea?
You can request a quote for N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea 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)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N'-(3-Chloro-4-fluorophenyl)-N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.