![N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide structure](/static/products/851/851784-05-9.png)
N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
TL;DR: N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide (CAS 851784-05-9) is a chemical compound with molecular formula C19H22N6O6S3 and molecular weight 526.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
Also Known As: N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide, N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide, N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide, N-[[5-[[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxy-benzamide, N-[[5-[[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
| Molecular Formula | C19H22N6O6S3 |
|---|---|
| Molecular Weight | 526.08 g/mol |
| LogP | 2.7197 |
| Topological Polar Surface Area | 150.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 526.0763 |
| Heavy Atoms | 34 |
| Complexity | 1112.4325 |
Chemical Identifiers
| CAS Number | 851784-05-9 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide (CAS 851784-05-9), with molecular formula C19H22N6O6S3 and molecular weight 526.08 g/mol. IUPAC: N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
Property Insights of N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
The XLogP value of 2.7197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide. The TPSA of 150.59 Ų indicates high polarity, suggesting N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide?
The CAS number of N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide is 851784-05-9.
What is the molecular formula of N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide is C19H22N6O6S3.
What is the molecular weight of N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide is 526.08 g/mol.
Where can I buy N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.