![3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one structure](/static/products/7479/74796-93-3.webp)
3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one
TL;DR: 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one (CAS 74796-93-3) is a chemical compound with molecular formula C26H21N5OS and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(2-methylanilino)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-phenylethenyl)quinazolin-4-one
Also Known As: 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one, 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethenyl)quinazolin-4(3H)-one
| Molecular Formula | C26H21N5OS |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.14667 |
| Heavy Atoms | 33 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 74796-93-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NCC2=NN=C(S2)N3C(=NC4=CC=CC=C4C3=O)C=CC5=CC=CC=C5 |
| InChIKey | MYYDUNXYUNZPKO-UHFFFAOYSA-N |
Product Overview
3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one (CAS 74796-93-3), with molecular formula C26H21N5OS and molecular weight 451.15 g/mol. IUPAC: 3-[5-[(2-methylanilino)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-phenylethenyl)quinazolin-4-one.
Chemical Property Profile of 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one
Property Insights of 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one
The XLogP value of 5.2 indicates that 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one?
The CAS number of 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one is 74796-93-3.
What is the molecular formula of 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one?
The molecular formula of 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one is C26H21N5OS.
What is the molecular weight of 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one?
The molecular weight of 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one is 451.15 g/mol.
Where can I buy 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one?
You can request a quote for 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{5-[(2-Methylanilino)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-phenylethen-1-yl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.