![N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide structure](/static/products/6932/693239-54-2.webp)
N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide
TL;DR: N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide (CAS 693239-54-2) is a chemical compound with molecular formula C18H14BrN3O2S2 and molecular weight 446.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
Also Known As: N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide, N-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
| Molecular Formula | C18H14BrN3O2S2 |
|---|---|
| Molecular Weight | 446.97 g/mol |
| LogP | 4.83632 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.97107 |
| Heavy Atoms | 26 |
| Complexity | 941.6191 |
Chemical Identifiers
| CAS Number | 693239-54-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide (CAS 693239-54-2), with molecular formula C18H14BrN3O2S2 and molecular weight 446.97 g/mol. IUPAC: N-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbenzamide.
Chemical Property Profile of N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide
Property Insights of N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide
The XLogP value of 4.83632 indicates that N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide. Following Lipinski's Rule of Five, N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide has 1 hydrogen bond donor(s) and 6 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-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide?
The CAS number of N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide is 693239-54-2.
What is the molecular formula of N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide?
The molecular formula of N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide is C18H14BrN3O2S2.
What is the molecular weight of N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide?
The molecular weight of N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide is 446.97 g/mol.
Where can I buy N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide?
You can request a quote for N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.