![N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea structure](/static/products/6809/6809-59-2.webp)
N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea
TL;DR: N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea (CAS 6809-59-2) is a chemical compound with molecular formula C27H23Cl2F2N3S and molecular weight 529.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-fluorophenyl)-1-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-(2-phenylethyl)thiourea
Also Known As: N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea, 3-(3-CHLORO-4-FLUOROPHENYL)-1-({1-[(2-CHLORO-4-FLUOROPHENYL)METHYL]-1H-PYRROL-2-YL}METHYL)-1-(2-PHENYLETHYL)THIOUREA, 3-(3-chloro-4-fluorophenyl)-1-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-phenethylthiourea
| Molecular Formula | C27H23Cl2F2N3S |
|---|---|
| Molecular Weight | 529.10 g/mol |
| LogP | 7.5631 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.09576 |
| Heavy Atoms | 35 |
| Complexity | 1311.0415 |
Chemical Identifiers
| CAS Number | 6809-59-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN(CC2=CC=CN2CC3=C(C=C(C=C3)F)Cl)C(=S)NC4=CC(=C(C=C4)F)Cl |
Product Overview
N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea (CAS 6809-59-2), with molecular formula C27H23Cl2F2N3S and molecular weight 529.10 g/mol. IUPAC: 3-(3-chloro-4-fluorophenyl)-1-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-(2-phenylethyl)thiourea.
Chemical Property Profile of N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea
Property Insights of N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea
The XLogP value of 7.5631 indicates that N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)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-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)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-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea?
The CAS number of N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea is 6809-59-2.
What is the molecular formula of N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea?
The molecular formula of N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea is C27H23Cl2F2N3S.
What is the molecular weight of N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea?
The molecular weight of N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea is 529.10 g/mol.
Where can I buy N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea?
You can request a quote for N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)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-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N'-(3-Chloro-4-fluorophenyl)-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(2-phenylethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.