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Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate
TL;DR: Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate (CAS 421580-29-2) is a chemical compound with molecular formula C23H18ClNO5S and molecular weight 455.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-[(4-chlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: AQ-390/42425874, BENZYL 5-(4-CHLOROBENZENESULFONAMIDO)-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE, benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate, benzyl 5-(4-chlorophenylsulfonamido)-2-methylbenzofuran-3-carboxylate, benzyl 5-[(4-chlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C23H18ClNO5S |
|---|---|
| Molecular Weight | 455.06 g/mol |
| LogP | 5.55242 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.05942 |
| Heavy Atoms | 31 |
| Complexity | 1346.2582 |
Chemical Identifiers
| CAS Number | 421580-29-2 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4 |
Product Overview
Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate (CAS 421580-29-2), with molecular formula C23H18ClNO5S and molecular weight 455.06 g/mol. IUPAC: benzyl 5-[(4-chlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate
Property Insights of Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate
The XLogP value of 5.55242 indicates that Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate?
The CAS number of Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate is 421580-29-2.
What is the molecular formula of Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate?
The molecular formula of Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate is C23H18ClNO5S.
What is the molecular weight of Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate?
The molecular weight of Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate is 455.06 g/mol.
Where can I buy Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate?
You can request a quote for Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.