N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide
TL;DR: N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide (CAS 61554-99-2) is a chemical compound with molecular formula C18H18BrFN4OS and molecular weight 436.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate;hydrobromide
Also Known As: N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide, Pseudourea, 1,3-dimethyl-2-((3,4-dihydro-3-(o-fluorophenyl)-4-oxoquinazolin-2-yl)methyl)-2-thio-, monohydrobromide, [3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate hydrobromide, RefChem:375674
| Molecular Formula | C18H18BrFN4OS |
|---|---|
| Molecular Weight | 436.04 g/mol |
| LogP | 3.5411 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.03687 |
| Heavy Atoms | 26 |
| Complexity | 1005.8928 |
Chemical Identifiers
| CAS Number | 61554-99-2 |
|---|---|
| SMILES | CNC(=NC)SCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3F.Br |
Product Overview
N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide (CAS 61554-99-2), with molecular formula C18H18BrFN4OS and molecular weight 436.04 g/mol. IUPAC: [3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate;hydrobromide.
Chemical Property Profile of N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide
Property Insights of N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide
The XLogP value of 3.5411 indicates that N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.28 Ų, N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide?
The CAS number of N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide is 61554-99-2.
What is the molecular formula of N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide?
The molecular formula of N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide is C18H18BrFN4OS.
What is the molecular weight of N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide?
The molecular weight of N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide is 436.04 g/mol.
Where can I buy N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide?
You can request a quote for N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Dimethyl-S-(3-(2-fluorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.