![(S)-N-(1-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide structure](/static/products/117/1173677-86-5.webp)
(S)-N-(1-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide
TL;DR: (S)-N-(1-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide (CAS 1173677-86-5) is a chemical compound with molecular formula C20H29N5O2S and molecular weight 403.2042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2S)-1-(3-methylbutylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
Also Known As: (S)-N-(1-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide, N-[(2S)-1-(3-methylbutylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide, N-[(2S)-1-[(3-methylbutyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide
Technical Specifications
| Molecular Formula | C20H29N5O2S |
| Molecular Weight | 403.2042 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.2042 Da |
| Heavy Atoms | 28 |
| Complexity | 547.0 |
| SMILES | CC(C)CCNC(=O)[C@H](CCSC)NC(=O)N1CCN2C1=NC3=CC=CC=C32 |
| InChIKey | VKSSAUWJGPCRTK-INIZCTEOSA-N |
Chemical Property Profile of (S)-N-(1-(isopentylamino)-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-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(1-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-(isopentylamino)-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-(isopentylamino)-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 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-N-(1-(isopentylamino)-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-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 1173677-86-5.
What is the molecular formula of (S)-N-(1-(isopentylamino)-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-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is C20H29N5O2S.
What is the molecular weight of (S)-N-(1-(isopentylamino)-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-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 403.2042 g/mol.
Where can I buy (S)-N-(1-(isopentylamino)-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-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-N-(1-(isopentylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
Yes, CoreyChem provides custom synthesis services for (S)-N-(1-(isopentylamino)-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.