1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea)
TL;DR: 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea) (CAS 372972-14-0) is a chemical compound with molecular formula C20H16F2N4S2 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)carbamothioylamino]phenyl]thiourea
Also Known As: 1,1'-(1,3-phenylene)bis(3-(4-fluorophenyl)thiourea), 1,1'-benzene-1,3-diylbis[3-(4-fluorophenyl)(thiourea)], 1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)carbamothioylamino]phenyl]thiourea
| Molecular Formula | C20H16F2N4S2 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 5.5826 |
| Topological Polar Surface Area | 48.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.07843 |
| Heavy Atoms | 28 |
| Complexity | 899.5057 |
Chemical Identifiers
| CAS Number | 372972-14-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)F)NC(=S)NC3=CC=C(C=C3)F |
Product Overview
1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea) (CAS 372972-14-0), with molecular formula C20H16F2N4S2 and molecular weight 414.08 g/mol. IUPAC: 1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)carbamothioylamino]phenyl]thiourea.
Chemical Property Profile of 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea)
Property Insights of 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea)
The XLogP value of 5.5826 indicates that 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.12 Ų, 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea) has 4 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 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea)?
The CAS number of 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea) is 372972-14-0.
What is the molecular formula of 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea)?
The molecular formula of 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea) is C20H16F2N4S2.
What is the molecular weight of 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea)?
The molecular weight of 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea) is 414.08 g/mol.
Where can I buy 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea)?
You can request a quote for 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(1,3-Phenylene)bis(3-(4-fluorophenyl)thiourea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.