![3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide structure](/static/products/5359/535941-80-1.webp)
3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
TL;DR: 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide (CAS 535941-80-1) is a chemical compound with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
Also Known As: 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide, 3-methyl-N-((3-pentanamidophenyl)carbamothioyl)benzofuran-2-carboxamide, 3-methyl-N-{[3-(pentanoylamino)phenyl]carbamothioyl}-1-benzofuran-2-carboxamide
| Molecular Formula | C22H23N3O3S |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 4.99672 |
| Topological Polar Surface Area | 83.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.14603 |
| Heavy Atoms | 29 |
| Complexity | 1058.3921 |
Chemical Identifiers
| CAS Number | 535941-80-1 |
|---|---|
| SMILES | CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C |
Product Overview
3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide (CAS 535941-80-1), with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol. IUPAC: 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
Property Insights of 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
The XLogP value of 4.99672 indicates that 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide has 3 hydrogen bond donor(s) and 4 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 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The CAS number of 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is 535941-80-1.
What is the molecular formula of 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular formula of 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is C22H23N3O3S.
What is the molecular weight of 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular weight of 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is 409.15 g/mol.
Where can I buy 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
You can request a quote for 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.