![2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid structure](/static/products/7252/725219-78-3.webp)
2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid
TL;DR: 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid (CAS 725219-78-3) is a chemical compound with molecular formula C22H14N4O5S and molecular weight 446.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic acid
Also Known As: 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid, 2'-((5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)carbamoyl)-[1,1'-biphenyl]-2-carboxylic acid, 2'-{[(2Z)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}biphenyl-2-carboxylic acid
| Molecular Formula | C22H14N4O5S |
|---|---|
| Molecular Weight | 446.07 g/mol |
| LogP | 4.7308 |
| Topological Polar Surface Area | 135.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.06848 |
| Heavy Atoms | 32 |
| Complexity | 1351.4229 |
Chemical Identifiers
| CAS Number | 725219-78-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid (CAS 725219-78-3), with molecular formula C22H14N4O5S and molecular weight 446.07 g/mol. IUPAC: 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic acid.
Chemical Property Profile of 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid
Property Insights of 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid
The XLogP value of 4.7308 indicates that 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid. Following Lipinski's Rule of Five, 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid has 2 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-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid?
The CAS number of 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid is 725219-78-3.
What is the molecular formula of 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid?
The molecular formula of 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid is C22H14N4O5S.
What is the molecular weight of 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid?
The molecular weight of 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid is 446.07 g/mol.
Where can I buy 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid?
You can request a quote for 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]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-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.