![2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole structure](/static/products/3387/338750-29-1.webp)
2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole
TL;DR: 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole (CAS 338750-29-1) is a chemical compound with molecular formula C11H9F3N2S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-benzimidazole
Also Known As: 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole, 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-benzimidazole, 4N-731, 2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-1,3-benzodiazole
| Molecular Formula | C11H9F3N2S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 4.1227 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.04385 |
| Heavy Atoms | 17 |
| Complexity | 513.395 |
Chemical Identifiers
| CAS Number | 338750-29-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCCC(=C(F)F)F |
Product Overview
2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole (CAS 338750-29-1), with molecular formula C11H9F3N2S and molecular weight 258.04 g/mol. IUPAC: 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-benzimidazole.
Chemical Property Profile of 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole
Property Insights of 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole
The XLogP value of 4.1227 indicates that 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole has 1 hydrogen bond donor(s) and 2 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-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole?
The CAS number of 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole is 338750-29-1.
What is the molecular formula of 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole?
The molecular formula of 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole is C11H9F3N2S.
What is the molecular weight of 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole?
The molecular weight of 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole is 258.04 g/mol.
Where can I buy 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole?
You can request a quote for 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-1H-1,3-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.