![N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide structure](/static/products/851/851453-95-7.png)
N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide
TL;DR: N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide (CAS 851453-95-7) is a chemical compound with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide
Also Known As: N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide, N-(1-(1H-Benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-3-methylbenzofuran-2-carboxamide, (Z)-N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboximidic acid, N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide, N-1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl-3-methyl-1-benzofuran-2-carboxamide
| Molecular Formula | C21H21N3O2S |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 4.84172 |
| Topological Polar Surface Area | 70.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.13544 |
| Heavy Atoms | 27 |
| Complexity | 1066.1559 |
Chemical Identifiers
| CAS Number | 851453-95-7 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3 |
Product Overview
N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide (CAS 851453-95-7), with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol. IUPAC: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide
Property Insights of N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide
The XLogP value of 4.84172 indicates that N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide has 2 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 N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide?
The CAS number of N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide is 851453-95-7.
What is the molecular formula of N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide?
The molecular formula of N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide is C21H21N3O2S.
What is the molecular weight of N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide?
The molecular weight of N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide is 379.14 g/mol.
Where can I buy N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide?
You can request a quote for N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-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 N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.