![(S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide structure](/static/products/117/1173685-09-0.png)
(S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide
TL;DR: (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide (CAS 1173685-09-0) is a chemical compound with molecular formula C20H23N5O3S and molecular weight 413.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
Also Known As: (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide, N-[(2S)-1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide, N-[(2S)-1-[(furan-2-ylmethyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide
| Molecular Formula | C20H23N5O3S |
|---|---|
| Molecular Weight | 413.15 g/mol |
| LogP | 2.597 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.15216 |
| Heavy Atoms | 29 |
| Complexity | 1000.89294 |
Chemical Identifiers
| CAS Number | 1173685-09-0 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)NCC1=CC=CO1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 |
Product Overview
(S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide (CAS 1173685-09-0), with molecular formula C20H23N5O3S and molecular weight 413.15 g/mol. IUPAC: N-[(2S)-1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.
Chemical Property Profile of (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide
Property Insights of (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide
The XLogP value of 2.597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide. Following Lipinski's Rule of Five, (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide has 2 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 (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
The CAS number of (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 1173685-09-0.
What is the molecular formula of (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
The molecular formula of (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is C20H23N5O3S.
What is the molecular weight of (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
The molecular weight of (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 413.15 g/mol.
Where can I buy (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
You can request a quote for (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(1-((furan-2-ylmethyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.