![methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate structure](/static/products/895/895641-23-3.png)
methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
TL;DR: methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate (CAS 895641-23-3) is a chemical compound with molecular formula C19H14N4O5S and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-methoxycarbonylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Also Known As: methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate, 5H-1,3,4-Thiadiazolo[2,3-b]quinazoline-8-carboxylic acid, 2-[[3-(methoxycarbonyl)phenyl]amino]-5-oxo-, methyl ester, methyl 2-(3-methoxycarbonylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
| Molecular Formula | C19H14N4O5S |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 2.621 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.06848 |
| Heavy Atoms | 29 |
| Complexity | 1327.4265 |
Chemical Identifiers
| CAS Number | 895641-23-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC2=NN3C(=O)C4=C(C=C(C=C4)C(=O)OC)N=C3S2 |
Product Overview
methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate (CAS 895641-23-3), with molecular formula C19H14N4O5S and molecular weight 410.07 g/mol. IUPAC: methyl 2-(3-methoxycarbonylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate.
Chemical Property Profile of methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Property Insights of methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
The XLogP value of 2.621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate. Following Lipinski's Rule of Five, methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate has 1 hydrogen bond donor(s) and 9 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 methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate?
The CAS number of methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate is 895641-23-3.
What is the molecular formula of methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate?
The molecular formula of methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate is C19H14N4O5S.
What is the molecular weight of methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate?
The molecular weight of methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate is 410.07 g/mol.
Where can I buy methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate?
You can request a quote for methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[3-(methoxycarbonyl)phenyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.