Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
TL;DR: Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate (CAS 421579-49-9) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
Also Known As: pentyl 2-methyl-5-(phenylsulfonamido)benzofuran-3-carboxylate, pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate, AQ-390/42425547, PENTYL 5-BENZENESULFONAMIDO-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE, F0782-0116
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.88902 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 1070.8739 |
Chemical Identifiers
| CAS Number | 421579-49-9 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C |
Product Overview
Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate (CAS 421579-49-9), with molecular formula C21H23NO5S and molecular weight 401.13 g/mol. IUPAC: pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
Property Insights of Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
The XLogP value of 4.88902 indicates that Pentyl 5-(benzenesulfonamido)-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 Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Pentyl 5-(benzenesulfonamido)-2-methyl-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 Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
The CAS number of Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate is 421579-49-9.
What is the molecular formula of Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
The molecular formula of Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate is C21H23NO5S.
What is the molecular weight of Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
The molecular weight of Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate is 401.13 g/mol.
Where can I buy Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
You can request a quote for Pentyl 5-(benzenesulfonamido)-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 Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.