N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide
TL;DR: N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide (CAS 830352-55-1) is a chemical compound with molecular formula C21H18N6O4S2 and molecular weight 482.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
Also Known As: N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide, N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide, N-[(2E)-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(4-oxoquinazolin-3(4H)-yl)acetamide, N-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3(4H)-yl)acetamide
| Molecular Formula | C21H18N6O4S2 |
|---|---|
| Molecular Weight | 482.08 g/mol |
| LogP | 2.6261 |
| Topological Polar Surface Area | 128.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.0831 |
| Heavy Atoms | 33 |
| Complexity | 1352.8862 |
Chemical Identifiers
| CAS Number | 830352-55-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CN3C=NC4=CC=CC=C4C3=O |
Product Overview
N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide (CAS 830352-55-1), with molecular formula C21H18N6O4S2 and molecular weight 482.08 g/mol. IUPAC: N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
Chemical Property Profile of N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide
Property Insights of N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide
The XLogP value of 2.6261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide. The TPSA of 128.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide has 2 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 N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide?
The CAS number of N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide is 830352-55-1.
What is the molecular formula of N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide?
The molecular formula of N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide is C21H18N6O4S2.
What is the molecular weight of N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide?
The molecular weight of N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide is 482.08 g/mol.
Where can I buy N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide?
You can request a quote for N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxyphenyl)-2-((5-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.