![2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole structure](/static/products/101/101094-63-7.png)
2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole
TL;DR: 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole (CAS 101094-63-7) is a chemical compound with molecular formula C14H10ClNOS and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzoxazole
Also Known As: 2-(4-Chlorobenzylsulfanyl)benzoxazole, 2-(4-Chlor-benzylmercapto)-benzoxazol, 2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzoxazole, 2-[(4-chlorobenzyl)sulfanyl]-1,3-benzoxazole, 2-[(4-chlorophenyl)methylthio]benzoxazole
| Molecular Formula | C14H10ClNOS |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.01715 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 101094-63-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)Cl |
| InChIKey | DVAZSOCVQKNKQF-UHFFFAOYSA-N |
Product Overview
2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole (CAS 101094-63-7), with molecular formula C14H10ClNOS and molecular weight 275.02 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzoxazole.
Chemical Property Profile of 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole
Property Insights of 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole
The XLogP value of 4.8 indicates that 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole 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-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole 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-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole?
The CAS number of 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole is 101094-63-7.
What is the molecular formula of 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole?
The molecular formula of 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole is C14H10ClNOS.
What is the molecular weight of 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole?
The molecular weight of 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole is 275.02 g/mol.
Where can I buy 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole?
You can request a quote for 2-[(4-Chlorophenyl)methylsulfanyl]-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-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)methylsulfanyl]-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.