3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide
TL;DR: 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide (CAS 40889-58-5) is a chemical compound with molecular formula C19H18BrN5O3S and molecular weight 475.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea
Also Known As: 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide, 1-[[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea, 2-[(6-Bromo-2-methyl-4-oxoquinazolin-3(4H)-yl)acetyl]-N-(4-methoxyphenyl)hydrazine-1-carbothioamide, BRN 0863152, RefChem:269736
| Molecular Formula | C19H18BrN5O3S |
|---|---|
| Molecular Weight | 475.03 g/mol |
| LogP | 2.49382 |
| Topological Polar Surface Area | 97.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.03137 |
| Heavy Atoms | 29 |
| Complexity | 1131.133 |
Chemical Identifiers
| CAS Number | 40889-58-5 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(=O)NNC(=S)NC3=CC=C(C=C3)OC |
Product Overview
3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide (CAS 40889-58-5), with molecular formula C19H18BrN5O3S and molecular weight 475.03 g/mol. IUPAC: 1-[[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea.
Chemical Property Profile of 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide
Property Insights of 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide
The XLogP value of 2.49382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide. The TPSA of 97.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide. Following Lipinski's Rule of Five, 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide has 3 hydrogen bond donor(s) and 5 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(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide?
The CAS number of 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide is 40889-58-5.
What is the molecular formula of 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide?
The molecular formula of 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide is C19H18BrN5O3S.
What is the molecular weight of 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide?
The molecular weight of 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide is 475.03 g/mol.
Where can I buy 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide?
You can request a quote for 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.