2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-
TL;DR: 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)- (CAS 5268-65-5) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-ylsulfanyl)pentane-2,4-dione
Also Known As: 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-, 3-benzimidazol-2-ylthiopentane-2,4-dione, 3-(2-benzimidazolylthio)-2-4-pentanedione, 3-(1H-benzimidazol-2-ylsulfanyl)pentane-2,4-dione, 2,4-Pentanedione,3-(1H-benzimidazol-2-ylthio)
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.2016 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 529.6442 |
Chemical Identifiers
| CAS Number | 5268-65-5 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC1=NC2=CC=CC=C2N1 |
Product Overview
2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)- (CAS 5268-65-5), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylsulfanyl)pentane-2,4-dione.
Chemical Property Profile of 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-
Property Insights of 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-
The XLogP value of 2.2016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-. Following Lipinski's Rule of Five, 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)- has 1 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 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-?
The CAS number of 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)- is 5268-65-5.
What is the molecular formula of 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-?
The molecular formula of 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)- is C12H12N2O2S.
What is the molecular weight of 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-?
The molecular weight of 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)- is 248.06 g/mol.
Where can I buy 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-?
You can request a quote for 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.