![2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one structure](/static/products/887/887224-22-8.png)
2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
TL;DR: 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CAS 887224-22-8) is a chemical compound with molecular formula C16H11ClN4OS and molecular weight 342.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Also Known As: 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one, F1608-0596, 2-(3-chloro-4-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one, 2-((3-chloro-4-methylphenyl)amino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
| Molecular Formula | C16H11ClN4OS |
|---|---|
| Molecular Weight | 342.03 g/mol |
| LogP | 4.00962 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.0342 |
| Heavy Atoms | 23 |
| Complexity | 1102.3271 |
Chemical Identifiers
| CAS Number | 887224-22-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NN3C(=O)C4=CC=CC=C4N=C3S2)Cl |
Product Overview
2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CAS 887224-22-8), with molecular formula C16H11ClN4OS and molecular weight 342.03 g/mol. IUPAC: 2-(3-chloro-4-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
Chemical Property Profile of 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Property Insights of 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
The XLogP value of 4.00962 indicates that 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has 1 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 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The CAS number of 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is 887224-22-8.
What is the molecular formula of 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The molecular formula of 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is C16H11ClN4OS.
What is the molecular weight of 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The molecular weight of 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is 342.03 g/mol.
Where can I buy 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
You can request a quote for 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-chloro-4-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.