2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride
TL;DR: 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride (CAS 134580-01-1) is a chemical compound with molecular formula C17H16Cl2N4OS2 and molecular weight 426.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(1H-benzimidazol-2-ylsulfanyl)propan-2-one;dihydrochloride
Also Known As: 1,3-Bis(benzimidazolyl-2-thio)propanone dihydrochloride, 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride, 1,3-bis(1H-benzimidazol-2-ylsulfanyl)propan-2-one dihydrochloride, 1,3-Bis[(1H-1,3-benzimidazol-2-yl)sulfanyl]propan-2-one--hydrogen chloride (1/2), RefChem:265998
| Molecular Formula | C17H16Cl2N4OS2 |
|---|---|
| Molecular Weight | 426.01 g/mol |
| LogP | 4.7363 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.01425 |
| Heavy Atoms | 26 |
| Complexity | 872.0255 |
Chemical Identifiers
| CAS Number | 134580-01-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)CSC3=NC4=CC=CC=C4N3.Cl.Cl |
Product Overview
2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride (CAS 134580-01-1), with molecular formula C17H16Cl2N4OS2 and molecular weight 426.01 g/mol. IUPAC: 1,3-bis(1H-benzimidazol-2-ylsulfanyl)propan-2-one;dihydrochloride.
Chemical Property Profile of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride
Property Insights of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride
The XLogP value of 4.7363 indicates that 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride. Following Lipinski's Rule of Five, 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride has 2 hydrogen bond donor(s) and 5 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-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride?
The CAS number of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride is 134580-01-1.
What is the molecular formula of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride?
The molecular formula of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride is C17H16Cl2N4OS2.
What is the molecular weight of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride?
The molecular weight of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride is 426.01 g/mol.
Where can I buy 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride?
You can request a quote for 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.