6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone
TL;DR: 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone (CAS 155104-16-8) is a chemical compound with molecular formula C20H17BrN2O6S and molecular weight 492.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
Also Known As: 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone, 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid, Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-, 1-methyl ester, 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic a, 2-[({6-Bromo-3-[3-hydroxy-4-(methoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]propanoic acid
| Molecular Formula | C20H17BrN2O6S |
|---|---|
| Molecular Weight | 492.00 g/mol |
| LogP | 3.3467 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.99908 |
| Heavy Atoms | 30 |
| Complexity | 1209.8563 |
Chemical Identifiers
| CAS Number | 155104-16-8 |
|---|---|
| SMILES | CC(C(=O)O)SCC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC(=C(C=C3)C(=O)OC)O |
Product Overview
6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone (CAS 155104-16-8), with molecular formula C20H17BrN2O6S and molecular weight 492.00 g/mol. IUPAC: 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid.
Chemical Property Profile of 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone
Property Insights of 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone
The XLogP value of 3.3467 indicates that 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone has 2 hydrogen bond donor(s) and 7 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 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone?
The CAS number of 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone is 155104-16-8.
What is the molecular formula of 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone?
The molecular formula of 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone is C20H17BrN2O6S.
What is the molecular weight of 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone?
The molecular weight of 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone is 492.00 g/mol.
Where can I buy 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone?
You can request a quote for 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.