![3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid structure](/static/products/117/117877-35-7.png)
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
TL;DR: 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid (CAS 117877-35-7) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
Also Known As: BAS 12398418, Propanoic acid, 3-[(6-methyl-1H-benzimidazol-2-yl)thio]-, 3-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid, 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid, A3877/0164802
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.43812 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 521.67896 |
Chemical Identifiers
| CAS Number | 117877-35-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)SCCC(=O)O |
Product Overview
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid (CAS 117877-35-7), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
Property Insights of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
The XLogP value of 2.43812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid. Following Lipinski's Rule of Five, 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid has 2 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 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid?
The CAS number of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid is 117877-35-7.
What is the molecular formula of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid?
The molecular formula of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid is C11H12N2O2S.
What is the molecular weight of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid?
The molecular weight of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid is 236.06 g/mol.
Where can I buy 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid?
You can request a quote for 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.