![2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole structure](/static/products/3299/329909-51-5.webp)
2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole
TL;DR: 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole (CAS 329909-51-5) is a chemical compound with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitrophenyl)methylsulfanyl]-1,3-benzoxazole
Also Known As: 3-Nitrobenzyl 2-benzoxazolyl sulfide, 2-[(3-nitrophenyl)methylthio]benzoxazole, 2-[(3-nitrophenyl)methylsulfanyl]-1,3-benzoxazole, J1.815.043C, Benzoxazole, 2-[[(3-nitrophenyl)methyl]thio]-
| Molecular Formula | C14H10N2O3S |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0412 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 329909-51-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | FXAMLHYMHAHNMV-UHFFFAOYSA-N |
Product Overview
2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole (CAS 329909-51-5), with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol. IUPAC: 2-[(3-nitrophenyl)methylsulfanyl]-1,3-benzoxazole.
Chemical Property Profile of 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole
Property Insights of 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole
The XLogP value of 3.9 indicates that 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole. Following Lipinski's Rule of Five, 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole has 0 hydrogen bond donor(s) and 5 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-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole?
The CAS number of 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole is 329909-51-5.
What is the molecular formula of 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole?
The molecular formula of 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole is C14H10N2O3S.
What is the molecular weight of 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole?
The molecular weight of 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole is 286.04 g/mol.
Where can I buy 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole?
You can request a quote for 2-[(3-Nitrophenyl)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-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Nitrophenyl)methylsulfanyl]-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.