RefChem:283773
TL;DR: RefChem:283773 (CAS 61554-95-8) is a chemical compound with molecular formula C20H21BrN4OS and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)quinazolin-4-one;hydrobromide
Also Known As: 4(3H)-Quinazolinone, 2-(((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)methyl)-3-o-tolyl-, monohydrobromide, 4(3H)-Quinazolinone, 2-(((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)methyl)-3-o-tolyl-, HBr, 3-(2-methylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)quinazolin-4-one hydrobromide, 3-(2-Methylphenyl)-2-{[(1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one--hydrogen bromide (1/1), 4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-[[(1,4,5,6-tetrahydro-2-pyrimidinyl)thio]methyl]-, monohydrobromide
| Molecular Formula | C20H21BrN4OS |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 3.85 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.06195 |
| Heavy Atoms | 27 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 61554-95-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NCCCN4.Br |
| InChIKey | KPXBIIMXVANZCX-UHFFFAOYSA-N |
Product Overview
RefChem:283773 (CAS 61554-95-8), with molecular formula C20H21BrN4OS and molecular weight 444.06 g/mol. IUPAC: 3-(2-methylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)quinazolin-4-one;hydrobromide.
Chemical Property Profile of RefChem:283773
Property Insights of RefChem:283773
The XLogP value of 3.85 indicates that RefChem:283773 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283773. Following Lipinski's Rule of Five, RefChem:283773 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 RefChem:283773?
The CAS number of RefChem:283773 is 61554-95-8.
What is the molecular formula of RefChem:283773?
The molecular formula of RefChem:283773 is C20H21BrN4OS.
What is the molecular weight of RefChem:283773?
The molecular weight of RefChem:283773 is 444.06 g/mol.
Where can I buy RefChem:283773?
You can request a quote for RefChem:283773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283773?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.