1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium
TL;DR: 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium (CAS 59592-33-5) is a chemical compound with molecular formula C11H16N3S+ and molecular weight 222.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
Also Known As: 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium, (1S)-1-(1H-1,3-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium
| Molecular Formula | C11H16N3S+ |
|---|---|
| Molecular Weight | 222.11 g/mol |
| LogP | 1.599 |
| Topological Polar Surface Area | 56.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.10649 |
| Heavy Atoms | 15 |
| Complexity | 405.0806 |
Chemical Identifiers
| CAS Number | 59592-33-5 |
|---|---|
| SMILES | CSCC[C@@H](C1=NC2=CC=CC=C2N1)[NH3+] |
Product Overview
1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium (CAS 59592-33-5), with molecular formula C11H16N3S+ and molecular weight 222.11 g/mol. IUPAC: [(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium.
Chemical Property Profile of 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium
Property Insights of 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium
The XLogP value of 1.599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium. With a topological polar surface area (TPSA) of 56.32 Ų, 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium has 2 hydrogen bond donor(s) and 2 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 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium?
The CAS number of 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium is 59592-33-5.
What is the molecular formula of 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium?
The molecular formula of 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium is C11H16N3S+.
What is the molecular weight of 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium?
The molecular weight of 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium is 222.11 g/mol.
Where can I buy 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium?
You can request a quote for 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.