![Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate structure](/static/products/4775/477548-54-2.webp)
Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate
TL;DR: Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate (CAS 477548-54-2) is a chemical compound with molecular formula C18H13N3O7S2 and molecular weight 447.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate
Also Known As: F0866-0468, Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate, methyl 4-{[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]carbamoyl}benzoate, methyl 4-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)carbamoyl)benzoate, methyl p-[N-5-(p-nitrophenylsulfonyl)-1,3-thiazol-2-ylcarbamoyl]benzoate
| Molecular Formula | C18H13N3O7S2 |
|---|---|
| Molecular Weight | 447.02 g/mol |
| LogP | 2.923 |
| Topological Polar Surface Area | 145.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.0195 |
| Heavy Atoms | 30 |
| Complexity | 1217.4258 |
Chemical Identifiers
| CAS Number | 477548-54-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate (CAS 477548-54-2), with molecular formula C18H13N3O7S2 and molecular weight 447.02 g/mol. IUPAC: methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate
Property Insights of Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate
The XLogP value of 2.923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate. The TPSA of 145.57 Ų indicates high polarity, suggesting Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate has 1 hydrogen bond donor(s) and 9 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 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate?
The CAS number of Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate is 477548-54-2.
What is the molecular formula of Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate?
The molecular formula of Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate is C18H13N3O7S2.
What is the molecular weight of Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate?
The molecular weight of Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate is 447.02 g/mol.
Where can I buy Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate?
You can request a quote for Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-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 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.