2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride
TL;DR: 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride (CAS 182193-14-2) is a chemical compound with molecular formula C16H22ClN3S and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-1-(thietan-3-yl)benzimidazole;hydrochloride
Also Known As: 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride, 2-(Hexahydro-1H-azepin-1-yl)-1-(3-thietanyl)-1H-benzimidazole monohydrochloride, 1H-Benzimidazole, 2-(hexahydro-1H-azepin-1-yl)-1-(3-thietanyl)-, monohydrochloride, 2-(azepan-1-yl)-1-(thietan-3-yl)benzimidazole hydrochloride, 2-(Azepan-1-yl)-1-(thietan-3-yl)-1H-1,3-benzimidazole--hydrogen chloride (1/1)
| Molecular Formula | C16H22ClN3S |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 4.1264 |
| Topological Polar Surface Area | 21.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.12228 |
| Heavy Atoms | 21 |
| Complexity | 600.58795 |
Chemical Identifiers
| CAS Number | 182193-14-2 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC3=CC=CC=C3N2C4CSC4.Cl |
Product Overview
2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride (CAS 182193-14-2), with molecular formula C16H22ClN3S and molecular weight 323.12 g/mol. IUPAC: 2-(azepan-1-yl)-1-(thietan-3-yl)benzimidazole;hydrochloride.
Chemical Property Profile of 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride
Property Insights of 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride
The XLogP value of 4.1264 indicates that 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.06 Ų, 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride has 0 hydrogen bond donor(s) and 3 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 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride?
The CAS number of 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride is 182193-14-2.
What is the molecular formula of 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride?
The molecular formula of 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride is C16H22ClN3S.
What is the molecular weight of 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride?
The molecular weight of 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride is 323.12 g/mol.
Where can I buy 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride?
You can request a quote for 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.