![2-((4-Bromobenzyl)thio)benzo[d]oxazole structure](/static/products/1008/100874-08-6.webp)
2-((4-Bromobenzyl)thio)benzo[d]oxazole
TL;DR: 2-((4-Bromobenzyl)thio)benzo[d]oxazole (CAS 100874-08-6) is a chemical compound with molecular formula C14H10BrNOS and molecular weight 318.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylsulfanyl]-1,3-benzoxazole
Also Known As: 2-((4-Bromobenzyl)thio)benzo[d]oxazole, BMP signaling agonist sb4, BMP agonist sb4, SB 4, FABP4 inhibitor C3
| Molecular Formula | C14H10BrNOS |
|---|---|
| Molecular Weight | 318.97 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.96664 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 100874-08-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)Br |
| InChIKey | JDVOIBFEFVKUPL-UHFFFAOYSA-N |
Product Overview
2-((4-Bromobenzyl)thio)benzo[d]oxazole (CAS 100874-08-6), with molecular formula C14H10BrNOS and molecular weight 318.97 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-1,3-benzoxazole.
Chemical Property Profile of 2-((4-Bromobenzyl)thio)benzo[d]oxazole
Property Insights of 2-((4-Bromobenzyl)thio)benzo[d]oxazole
The XLogP value of 4.9 indicates that 2-((4-Bromobenzyl)thio)benzo[d]oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 2-((4-Bromobenzyl)thio)benzo[d]oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Bromobenzyl)thio)benzo[d]oxazole has 0 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 2-((4-Bromobenzyl)thio)benzo[d]oxazole?
The CAS number of 2-((4-Bromobenzyl)thio)benzo[d]oxazole is 100874-08-6.
What is the molecular formula of 2-((4-Bromobenzyl)thio)benzo[d]oxazole?
The molecular formula of 2-((4-Bromobenzyl)thio)benzo[d]oxazole is C14H10BrNOS.
What is the molecular weight of 2-((4-Bromobenzyl)thio)benzo[d]oxazole?
The molecular weight of 2-((4-Bromobenzyl)thio)benzo[d]oxazole is 318.97 g/mol.
Where can I buy 2-((4-Bromobenzyl)thio)benzo[d]oxazole?
You can request a quote for 2-((4-Bromobenzyl)thio)benzo[d]oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Bromobenzyl)thio)benzo[d]oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Bromobenzyl)thio)benzo[d]oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.