Benzoxazole, 2-(4-methoxybenzylthio)-
TL;DR: Benzoxazole, 2-(4-methoxybenzylthio)- (CAS 166587-77-5) is a chemical compound with molecular formula C15H13NO2S and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methylsulfanyl]-1,3-benzoxazole
Also Known As: DivK1c_005645, Benzoxazole, 2-(4-methoxybenzylthio)-, CDS1_004605, 2-[(4-Methoxybenzyl)thio]benzoxazole, 2-(4-Methoxybenzylsulfanyl)benzoxazole
| Molecular Formula | C15H13NO2S |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.0667 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 166587-77-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3O2 |
| InChIKey | MXLKIZUOQVXVBN-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 2-(4-methoxybenzylthio)- (CAS 166587-77-5), with molecular formula C15H13NO2S and molecular weight 271.07 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylsulfanyl]-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-(4-methoxybenzylthio)-
Property Insights of Benzoxazole, 2-(4-methoxybenzylthio)-
The XLogP value of 4.2 indicates that Benzoxazole, 2-(4-methoxybenzylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoxazole, 2-(4-methoxybenzylthio)-. Following Lipinski's Rule of Five, Benzoxazole, 2-(4-methoxybenzylthio)- has 0 hydrogen bond donor(s) and 4 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 Benzoxazole, 2-(4-methoxybenzylthio)-?
The CAS number of Benzoxazole, 2-(4-methoxybenzylthio)- is 166587-77-5.
What is the molecular formula of Benzoxazole, 2-(4-methoxybenzylthio)-?
The molecular formula of Benzoxazole, 2-(4-methoxybenzylthio)- is C15H13NO2S.
What is the molecular weight of Benzoxazole, 2-(4-methoxybenzylthio)-?
The molecular weight of Benzoxazole, 2-(4-methoxybenzylthio)- is 271.07 g/mol.
Where can I buy Benzoxazole, 2-(4-methoxybenzylthio)-?
You can request a quote for Benzoxazole, 2-(4-methoxybenzylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-(4-methoxybenzylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-(4-methoxybenzylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.