![2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole structure](/static/products/6047/604795-48-4.webp)
2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole
TL;DR: 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole (CAS 604795-48-4) 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-[(3-methoxyphenyl)methylsulfanyl]-1,3-benzoxazole
Also Known As: 2-((3-methoxybenzyl)thio)benzo[d]oxazole, 2-[(3-Methoxybenzyl)thio]benzoxazole, 2-(3-Methoxybenzylsulfanyl)benzoxazole, 2-[(3-methoxybenzyl)sulfanyl]-1,3-benzoxazole, Benzoxazole, 2-[[(3-methoxyphenyl)methyl]thio]- (9CI)
| Molecular Formula | C15H13NO2S |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 4.1287 |
| Topological Polar Surface Area | 35.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.0667 |
| Heavy Atoms | 19 |
| Complexity | 660.1832 |
Chemical Identifiers
| CAS Number | 604795-48-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=NC3=CC=CC=C3O2 |
Product Overview
2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole (CAS 604795-48-4), with molecular formula C15H13NO2S and molecular weight 271.07 g/mol. IUPAC: 2-[(3-methoxyphenyl)methylsulfanyl]-1,3-benzoxazole.
Chemical Property Profile of 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole
Property Insights of 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole
The XLogP value of 4.1287 indicates that 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.26 Ų, 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole 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 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole?
The CAS number of 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole is 604795-48-4.
What is the molecular formula of 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole?
The molecular formula of 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole is C15H13NO2S.
What is the molecular weight of 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole?
The molecular weight of 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole is 271.07 g/mol.
Where can I buy 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole?
You can request a quote for 2-[(3-Methoxybenzyl)sulfanyl]-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-Methoxybenzyl)sulfanyl]-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.