![(S)-N-(1-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide structure](/static/products/117/1173687-08-5.png)
(S)-N-(1-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide
TL;DR: (S)-N-(1-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide (CAS 1173687-08-5) is a chemical compound with molecular formula C21H29N5O2S and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-(cyclohexylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
Also Known As: (S)-N-(1-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide, N-[(2S)-1-(cyclohexylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide, N-[(2S)-1-(cyclohexylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
| Molecular Formula | C21H29N5O2S |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 3.1365 |
| Topological Polar Surface Area | 79.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.2042 |
| Heavy Atoms | 29 |
| Complexity | 877.0787 |
Chemical Identifiers
| CAS Number | 1173687-08-5 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)NC1CCCCC1)NC(=O)N2CCN3C2=NC4=CC=CC=C43 |
Product Overview
(S)-N-(1-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide (CAS 1173687-08-5), with molecular formula C21H29N5O2S and molecular weight 415.20 g/mol. IUPAC: N-[(2S)-1-(cyclohexylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.
Chemical Property Profile of (S)-N-(1-(cyclohexylamino)-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-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide
The XLogP value of 3.1365 indicates that (S)-N-(1-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-(cyclohexylamino)-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-(cyclohexylamino)-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
Frequently Asked Questions
What is the CAS number of (S)-N-(1-(cyclohexylamino)-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-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 1173687-08-5.
What is the molecular formula of (S)-N-(1-(cyclohexylamino)-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-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is C21H29N5O2S.
What is the molecular weight of (S)-N-(1-(cyclohexylamino)-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-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 415.20 g/mol.
Where can I buy (S)-N-(1-(cyclohexylamino)-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-(cyclohexylamino)-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-(cyclohexylamino)-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-(cyclohexylamino)-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.