![2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid structure](/static/products/4985/498569-12-3.webp)
2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid
TL;DR: 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid (CAS 498569-12-3) is a chemical compound with molecular formula C20H18N4O4S2 and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid
Also Known As: 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid, 2-((5-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoic acid, 2-[(5-{[2-(2,6-Dimethylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid, 2-[[5-[(2,6-dimethylphenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic Acid, 2-{[5-({[(2,6-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]CARBAMOYL}BENZOIC ACID
| Molecular Formula | C20H18N4O4S2 |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 3.83624 |
| Topological Polar Surface Area | 121.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.07693 |
| Heavy Atoms | 30 |
| Complexity | 1093.4408 |
Chemical Identifiers
| CAS Number | 498569-12-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid (CAS 498569-12-3), with molecular formula C20H18N4O4S2 and molecular weight 442.08 g/mol. IUPAC: 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid.
Chemical Property Profile of 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid
Property Insights of 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid
The XLogP value of 3.83624 indicates that 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid has 3 hydrogen bond donor(s) and 7 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 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid?
The CAS number of 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid is 498569-12-3.
What is the molecular formula of 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid?
The molecular formula of 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid is C20H18N4O4S2.
What is the molecular weight of 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid?
The molecular weight of 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid is 442.08 g/mol.
Where can I buy 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid?
You can request a quote for 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.