S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide
TL;DR: S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide (CAS 62355-45-7) is a chemical compound with molecular formula C18H18BrClN4OS and molecular weight 452.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate;hydrobromide
Also Known As: S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide, Pseudourea, 2-((3-(o-chlorophenyl)-3,4-dihydro-4-oxoquinazolin-2-yl)methyl)-1,3-dimethyl-2-thio-, monohydrobromide, [3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate hydrobromide, RefChem:375703
| Molecular Formula | C18H18BrClN4OS |
|---|---|
| Molecular Weight | 452.01 g/mol |
| LogP | 4.0554 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.00732 |
| Heavy Atoms | 26 |
| Complexity | 1005.8928 |
Chemical Identifiers
| CAS Number | 62355-45-7 |
|---|---|
| SMILES | CNC(=NC)SCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl.Br |
Product Overview
S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide (CAS 62355-45-7), with molecular formula C18H18BrClN4OS and molecular weight 452.01 g/mol. IUPAC: [3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate;hydrobromide.
Chemical Property Profile of S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide
Property Insights of S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide
The XLogP value of 4.0554 indicates that S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium 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, S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium 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 S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide?
The CAS number of S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide is 62355-45-7.
What is the molecular formula of S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide?
The molecular formula of S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide is C18H18BrClN4OS.
What is the molecular weight of S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide?
The molecular weight of S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide is 452.01 g/mol.
Where can I buy S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide?
You can request a quote for S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide?
Yes, KEHONG BIO provides custom synthesis services for S-(3-(2-Chlorophenyl)-4(3H)-oxoquinazolin-2-ylmethyl)-N,N'-dimethylthiouronium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.