![1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea structure](/static/products/845/845666-02-6.png)
1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea
TL;DR: 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea (CAS 845666-02-6) is a chemical compound with molecular formula C20H20FN5OS and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]iminothiourea
Also Known As: 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea, 1-(4-fluorophenyl)-3-[(Z)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea, 1-(4-fluorophenyl)-3-[[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea, 3-(4-fluorophenyl)-1-[[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea, (2Z)-N-(4-fluorophenyl)-2-[2-oxo-1-(pyrrolidin-1-ylmethyl)-1,2-dihydro-3H-indol-3-ylidene]hydrazinecarbothioamide
| Molecular Formula | C20H20FN5OS |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 5.02 |
| Topological Polar Surface Area | 65.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.13727 |
| Heavy Atoms | 28 |
| Complexity | 1025.0021 |
Chemical Identifiers
| CAS Number | 845666-02-6 |
|---|---|
| SMILES | C1CCN(C1)CN2C3=CC=CC=C3C(=C2O)N=NC(=S)NC4=CC=C(C=C4)F |
Product Overview
1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea (CAS 845666-02-6), with molecular formula C20H20FN5OS and molecular weight 397.14 g/mol. IUPAC: 1-(4-fluorophenyl)-3-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]iminothiourea.
Chemical Property Profile of 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea
Property Insights of 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea
The XLogP value of 5.02 indicates that 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea?
The CAS number of 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea is 845666-02-6.
What is the molecular formula of 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea?
The molecular formula of 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea is C20H20FN5OS.
What is the molecular weight of 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea?
The molecular weight of 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea is 397.14 g/mol.
Where can I buy 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea?
You can request a quote for 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-3-[(E)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.