ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate
TL;DR: ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate (CAS 477333-02-1) is a chemical compound with molecular formula C25H21N3O4S and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
Also Known As: CBKinase1_004362, CBKinase1_016762, BRD-K27682951-001-01-6, methyl 4-[({[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)amino]benzoate, Methyl 4-(2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C25H21N3O4S |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 4.21152 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.12527 |
| Heavy Atoms | 33 |
| Complexity | 1379.944 |
Chemical Identifiers
| CAS Number | 477333-02-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate (CAS 477333-02-1), with molecular formula C25H21N3O4S and molecular weight 459.13 g/mol. IUPAC: methyl 4-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate
Property Insights of ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate
The XLogP value of 4.21152 indicates that ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate. Following Lipinski's Rule of Five, ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate has 1 hydrogen bond donor(s) and 6 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 ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate?
The CAS number of ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate is 477333-02-1.
What is the molecular formula of ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate?
The molecular formula of ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate is C25H21N3O4S.
What is the molecular weight of ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate?
The molecular weight of ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate is 459.13 g/mol.
Where can I buy ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate?
You can request a quote for ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ME 4-((((3-(4-Methyl-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)AC)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.