![2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole structure](/static/products/6944/694498-92-5.webp)
2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole
TL;DR: 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole (CAS 694498-92-5) is a chemical compound with molecular formula C13H13N3OS and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-benzimidazol-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
Also Known As: ChemDiv2_004659, CBKinase1_004509, CBKinase1_016909, SDCCGMLS-0064455.P001, IDI1_003374
| Molecular Formula | C13H13N3OS |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 3.46004 |
| Topological Polar Surface Area | 54.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.07794 |
| Heavy Atoms | 18 |
| Complexity | 633.9208 |
Chemical Identifiers
| CAS Number | 694498-92-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3N2 |
Product Overview
2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole (CAS 694498-92-5), with molecular formula C13H13N3OS and molecular weight 259.08 g/mol. IUPAC: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole
Property Insights of 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole
The XLogP value of 3.46004 indicates that 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.71 Ų, 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole 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-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole?
The CAS number of 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole is 694498-92-5.
What is the molecular formula of 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole?
The molecular formula of 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole is C13H13N3OS.
What is the molecular weight of 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole?
The molecular weight of 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole is 259.08 g/mol.
Where can I buy 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole?
You can request a quote for 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.