Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate
TL;DR: Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate (CAS 636993-88-9) is a chemical compound with molecular formula C12H7F3N4O5S and molecular weight 376.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate
Also Known As: methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate, methyl 3-nitro-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate, methyl 3-nitro-5-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate, METHYL 3-NITRO-5-({[5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL]AMINO}CARBONYL)BENZOATE
| Molecular Formula | C12H7F3N4O5S |
|---|---|
| Molecular Weight | 376.01 g/mol |
| LogP | 2.504 |
| Topological Polar Surface Area | 124.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.0089 |
| Heavy Atoms | 25 |
| Complexity | 851.5165 |
Chemical Identifiers
| CAS Number | 636993-88-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate (CAS 636993-88-9), with molecular formula C12H7F3N4O5S and molecular weight 376.01 g/mol. IUPAC: methyl 3-nitro-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate.
Chemical Property Profile of Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate
Property Insights of Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate
The XLogP value of 2.504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate. The TPSA of 124.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate has 1 hydrogen bond donor(s) and 8 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 Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate?
The CAS number of Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate is 636993-88-9.
What is the molecular formula of Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate?
The molecular formula of Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate is C12H7F3N4O5S.
What is the molecular weight of Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate?
The molecular weight of Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate is 376.01 g/mol.
Where can I buy Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate?
You can request a quote for Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-5-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.