1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide
TL;DR: 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide (CAS 667404-46-8) is a chemical compound with molecular formula C14H9ClFNOS and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole
Also Known As: 1,3-benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide, 2-[(2-chloro-4-fluorophenyl)methylthio]benzoxazole, 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole, AP-964/41445134
| Molecular Formula | C14H9ClFNOS |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 4.9126 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.00775 |
| Heavy Atoms | 19 |
| Complexity | 695.2927 |
Chemical Identifiers
| CAS Number | 667404-46-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC3=C(C=C(C=C3)F)Cl |
Product Overview
1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide (CAS 667404-46-8), with molecular formula C14H9ClFNOS and molecular weight 293.01 g/mol. IUPAC: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole.
Chemical Property Profile of 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide
Property Insights of 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide
The XLogP value of 4.9126 indicates that 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl 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, 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide 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 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide?
The CAS number of 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide is 667404-46-8.
What is the molecular formula of 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide?
The molecular formula of 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide is C14H9ClFNOS.
What is the molecular weight of 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide?
The molecular weight of 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide is 293.01 g/mol.
Where can I buy 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide?
You can request a quote for 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzoxazol-2-yl 2-chloro-4-fluorobenzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.