6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone
TL;DR: 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone (CAS 155104-11-3) is a chemical compound with molecular formula C20H17BrN2O5S and molecular weight 476.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]acetic acid
Also Known As: 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone, Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester, 2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]acetic acid, [({6-Bromo-3-[4-(ethoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]acetic acid, RefChem:327455
| Molecular Formula | C20H17BrN2O5S |
|---|---|
| Molecular Weight | 476.00 g/mol |
| LogP | 3.6427 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.00415 |
| Heavy Atoms | 29 |
| Complexity | 1128.16 |
Chemical Identifiers
| CAS Number | 155104-11-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CSCC(=O)O |
Product Overview
6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone (CAS 155104-11-3), with molecular formula C20H17BrN2O5S and molecular weight 476.00 g/mol. IUPAC: 2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]acetic acid.
Chemical Property Profile of 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone
Property Insights of 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone
The XLogP value of 3.6427 indicates that 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone 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 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone?
The CAS number of 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone is 155104-11-3.
What is the molecular formula of 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone?
The molecular formula of 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone is C20H17BrN2O5S.
What is the molecular weight of 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone?
The molecular weight of 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone is 476.00 g/mol.
Where can I buy 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone?
You can request a quote for 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)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-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2-(carboxymethylthiomethyl)-3-(4'-(ethoxycarbonyl)phenyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.