5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide
TL;DR: 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide (CAS 343374-83-4) is a chemical compound with molecular formula C11H7ClF3NOS and molecular weight 292.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-benzoxazole
Also Known As: 5-chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide, 5-chloro-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-benzoxazole, 6N-748, 5-chloro-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1,3-benzoxazole
| Molecular Formula | C11H7ClF3NOS |
|---|---|
| Molecular Weight | 292.99 g/mol |
| LogP | 5.041 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.9889 |
| Heavy Atoms | 18 |
| Complexity | 594.9859 |
Chemical Identifiers
| CAS Number | 343374-83-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N=C(O2)SCCC(=C(F)F)F |
Product Overview
5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide (CAS 343374-83-4), with molecular formula C11H7ClF3NOS and molecular weight 292.99 g/mol. IUPAC: 5-chloro-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-benzoxazole.
Chemical Property Profile of 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide
Property Insights of 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide
The XLogP value of 5.041 indicates that 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide 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 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide?
The CAS number of 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide is 343374-83-4.
What is the molecular formula of 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide?
The molecular formula of 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide is C11H7ClF3NOS.
What is the molecular weight of 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide?
The molecular weight of 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide is 292.99 g/mol.
Where can I buy 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide?
You can request a quote for 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,3-benzoxazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.