1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride
TL;DR: 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride (CAS 105770-83-0) is a chemical compound with molecular formula C17H17ClN2S and molecular weight 316.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2-prop-2-enylsulfanyl-1H-benzimidazole;hydrochloride
Also Known As: 5-Benzyl-2-(2-propenylthio)benzimidazole hydrochloride, 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride, 5-(Phenylmethyl)-2-(2-propenylthio)-1H-benzimidazole monohydrochloride, 6-benzyl-2-prop-2-enylsulfanyl-1H-benzimidazole hydrochloride, 6-Benzyl-2-[(prop-2-en-1-yl)sulfanyl]-1H-1,3-benzimidazole--hydrogen chloride (1/1)
| Molecular Formula | C17H17ClN2S |
|---|---|
| Molecular Weight | 316.08 g/mol |
| LogP | 4.8536 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0801 |
| Heavy Atoms | 21 |
| Complexity | 721.9931 |
Chemical Identifiers
| CAS Number | 105770-83-0 |
|---|---|
| SMILES | C=CCSC1=NC2=C(N1)C=C(C=C2)CC3=CC=CC=C3.Cl |
Product Overview
1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride (CAS 105770-83-0), with molecular formula C17H17ClN2S and molecular weight 316.08 g/mol. IUPAC: 6-benzyl-2-prop-2-enylsulfanyl-1H-benzimidazole;hydrochloride.
Chemical Property Profile of 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride
Property Insights of 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride
The XLogP value of 4.8536 indicates that 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride has 1 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 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride?
The CAS number of 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride is 105770-83-0.
What is the molecular formula of 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride?
The molecular formula of 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride is C17H17ClN2S.
What is the molecular weight of 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride?
The molecular weight of 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride is 316.08 g/mol.
Where can I buy 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride?
You can request a quote for 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.