![3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid structure](/static/products/1551/155104-14-6.webp)
3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
TL;DR: 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid (CAS 155104-14-6) 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.
3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
Also Known As: 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid, Benzoic acid, 4-(6-bromo-2-(((2-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-, 1-methyl ester, 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic a, 3-[({6-Bromo-3-[3-hydroxy-4-(methoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]propanoic acid, 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]propanoic acid
| Molecular Formula | C20H17BrN2O6S |
|---|---|
| Molecular Weight | 492.00 g/mol |
| LogP | 3.3483 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.99908 |
| Heavy Atoms | 30 |
| Complexity | 1193.8656 |
Chemical Identifiers
| CAS Number | 155104-14-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CSCCC(=O)O)O |
Product Overview
3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid (CAS 155104-14-6), with molecular formula C20H17BrN2O6S and molecular weight 492.00 g/mol. IUPAC: 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid.
Chemical Property Profile of 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
Property Insights of 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
The XLogP value of 3.3483 indicates that 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid 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 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid. Following Lipinski's Rule of Five, 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid 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 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid?
The CAS number of 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid is 155104-14-6.
What is the molecular formula of 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid?
The molecular formula of 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid is C20H17BrN2O6S.
What is the molecular weight of 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid?
The molecular weight of 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid is 492.00 g/mol.
Where can I buy 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid?
You can request a quote for 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.