![2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole structure](/static/products/2962/296273-25-1.webp)
2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
TL;DR: 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole (CAS 296273-25-1) is a chemical compound with molecular formula C14H11BrN2S and molecular weight 317.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: 2-[(4-bromophenyl)methylsulfanyl]-1H-benzimidazole, 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole, 2-((4-Bromobenzyl)thio)-1h-benzo[d]imidazole, BAS 01127345, 2-[(4-bromobenzyl)sulfanyl]-1H-benzimidazole
| Molecular Formula | C14H11BrN2S |
|---|---|
| Molecular Weight | 317.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.98264 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 296273-25-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)Br |
| InChIKey | SSZXTFFESFXOKA-UHFFFAOYSA-N |
Product Overview
2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole (CAS 296273-25-1), with molecular formula C14H11BrN2S and molecular weight 317.98 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
Property Insights of 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
The XLogP value of 4.3 indicates that 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole 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-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The CAS number of 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is 296273-25-1.
What is the molecular formula of 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular formula of 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is C14H11BrN2S.
What is the molecular weight of 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular weight of 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is 317.98 g/mol.
Where can I buy 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
You can request a quote for 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.