![4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid structure](/static/products/305/305346-99-0.png)
4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid
TL;DR: 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid (CAS 305346-99-0) is a chemical compound with molecular formula C16H20N2O3S and molecular weight 320.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]-4-oxobutanoic acid
Also Known As: 4-(2-(isopentylthio)-1H-benzo[d]imidazol-1-yl)-4-oxobutanoic acid, 4-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]-4-oxobutanoic acid, 4-[2-(3-methylbutylsulfanyl)benzoimidazol-1-yl]-4-oxo-butanoic Acid, 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid
| Molecular Formula | C16H20N2O3S |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | 3.6795 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.11948 |
| Heavy Atoms | 22 |
| Complexity | 679.0808 |
Chemical Identifiers
| CAS Number | 305346-99-0 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=CC=CC=C2N1C(=O)CCC(=O)O |
Product Overview
4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid (CAS 305346-99-0), with molecular formula C16H20N2O3S and molecular weight 320.12 g/mol. IUPAC: 4-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid
Property Insights of 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid
The XLogP value of 3.6795 indicates that 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid 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 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid?
The CAS number of 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid is 305346-99-0.
What is the molecular formula of 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid?
The molecular formula of 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid is C16H20N2O3S.
What is the molecular weight of 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid?
The molecular weight of 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid is 320.12 g/mol.
Where can I buy 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid?
You can request a quote for 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(3-methylbutyl)sulfanyl]-1H-benzimidazol-1-yl}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.