![Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate structure](/static/products/6944/694460-76-9.webp)
Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate
TL;DR: Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate (CAS 694460-76-9) is a chemical compound with molecular formula C21H17NO5S and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-5-(naphthalen-1-ylsulfonylamino)-1-benzofuran-3-carboxylate
Also Known As: AQ-390/42128644, methyl 2-methyl-5-(naphthalen-1-ylsulfonylamino)-1-benzofuran-3-carboxylate, methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate, methyl 2-methyl-5-(naphthalene-1-sulfonamido)benzofuran-3-carboxylate
| Molecular Formula | C21H17NO5S |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 4.48182 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.08273 |
| Heavy Atoms | 28 |
| Complexity | 1316.1447 |
Chemical Identifiers
| CAS Number | 694460-76-9 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43)C(=O)OC |
Product Overview
Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate (CAS 694460-76-9), with molecular formula C21H17NO5S and molecular weight 395.08 g/mol. IUPAC: methyl 2-methyl-5-(naphthalen-1-ylsulfonylamino)-1-benzofuran-3-carboxylate.
Chemical Property Profile of Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate
Property Insights of Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate
The XLogP value of 4.48182 indicates that Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-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 Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate?
The CAS number of Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate is 694460-76-9.
What is the molecular formula of Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate?
The molecular formula of Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate is C21H17NO5S.
What is the molecular weight of Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate?
The molecular weight of Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate is 395.08 g/mol.
Where can I buy Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate?
You can request a quote for Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-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 Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-5-[(1-naphthylsulfonyl)amino]-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.