![2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole structure](/static/products/866/866010-50-6.png)
2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole
TL;DR: 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole (CAS 866010-50-6) is a chemical compound with molecular formula C18H17ClFNOS and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-5-fluoro-1,3-benzoxazole
Also Known As: 2-{[4-(tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole, 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-5-fluoro-1,3-benzoxazole, 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole
| Molecular Formula | C18H17ClFNOS |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 6.2101 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.07034 |
| Heavy Atoms | 23 |
| Complexity | 836.5891 |
Chemical Identifiers
| CAS Number | 866010-50-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(O2)C(=CC(=C3)F)Cl |
Product Overview
2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole (CAS 866010-50-6), with molecular formula C18H17ClFNOS and molecular weight 349.07 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-5-fluoro-1,3-benzoxazole.
Chemical Property Profile of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole
Property Insights of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole
The XLogP value of 6.2101 indicates that 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole?
The CAS number of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole is 866010-50-6.
What is the molecular formula of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole?
The molecular formula of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole is C18H17ClFNOS.
What is the molecular weight of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole?
The molecular weight of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole is 349.07 g/mol.
Where can I buy 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole?
You can request a quote for 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Tert-butyl)benzyl]sulfanyl}-7-chloro-5-fluoro-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.