S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide
TL;DR: S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide (CAS 61554-96-9) is a chemical compound with molecular formula C16H15BrN4OS and molecular weight 390.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-3-phenylquinazolin-2-yl)methyl carbamimidothioate;hydrobromide
Also Known As: S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide, Pseudourea, 2-((3,4-dihydro-4-oxo-3-phenylquinazolin-2-yl)methyl)-2-thio-, monohydrobromide, 2-((3,4-Dihydro-4-oxo-3-phenylquinazolin-2-yl)methyl)-2-thiopseudourea monohydrobromide, 2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylmethyl)-isothiourea, (4-oxo-3-phenylquinazolin-2-yl)methyl carbamimidothioate hydrobromide
| Molecular Formula | C16H15BrN4OS |
|---|---|
| Molecular Weight | 390.01 g/mol |
| LogP | 3.09027 |
| Topological Polar Surface Area | 84.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.01498 |
| Heavy Atoms | 23 |
| Complexity | 895.4709 |
Chemical Identifiers
| CAS Number | 61554-96-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC(=N)N.Br |
Product Overview
S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide (CAS 61554-96-9), with molecular formula C16H15BrN4OS and molecular weight 390.01 g/mol. IUPAC: (4-oxo-3-phenylquinazolin-2-yl)methyl carbamimidothioate;hydrobromide.
Chemical Property Profile of S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide
Property Insights of S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide
The XLogP value of 3.09027 indicates that S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.76 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide. Following Lipinski's Rule of Five, S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide has 2 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-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide?
The CAS number of S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide is 61554-96-9.
What is the molecular formula of S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide?
The molecular formula of S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide is C16H15BrN4OS.
What is the molecular weight of S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide?
The molecular weight of S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide is 390.01 g/mol.
Where can I buy S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide?
You can request a quote for S-(3-Phenyl-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 S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide?
Yes, KEHONG BIO provides custom synthesis services for S-(3-Phenyl-4(3H)-oxoquinazolin-2-ylmethyl)thiouronium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.