Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-
TL;DR: Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl- (CAS 116758-66-8) is a chemical compound with molecular formula C16H12N4O3S and molecular weight 340.06302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
Also Known As: BAS 04874363, Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-, 1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylurea, N-(5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenylurea, AB00097023-01
Technical Specifications
| Molecular Formula | C16H12N4O3S |
| Molecular Weight | 340.06302 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.06302 Da |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)NC4=CC=CC=C4 |
| InChIKey | AQGWFVILXOJNAN-UHFFFAOYSA-N |
Chemical Property Profile of Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-
Property Insights of Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-. Following Lipinski's Rule of Five, Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-?
The CAS number of Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl- is 116758-66-8.
What is the molecular formula of Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-?
The molecular formula of Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl- is C16H12N4O3S.
What is the molecular weight of Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-?
The molecular weight of Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl- is 340.06302 g/mol.
Where can I buy Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-?
You can request a quote for Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-?
Yes, CoreyChem provides custom synthesis services for Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.