![2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole structure](/static/products/4410/4410-27-9.webp)
2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole
TL;DR: 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole (CAS 4410-27-9) is a chemical compound with molecular formula C12H9NOS and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylbenzo[e][1,3]benzoxazole
Also Known As: ChemDiv2_003657, 2-methylthiobenzo[e]benzoxazole, 2-Methylsulfanyl-naphtho[1,2-d]oxazole, 2-(methylsulfanyl)naphtho[1,2-d][1,3]oxazole, 2-methylsulfanylbenzo[e][1,3]benzoxazole
| Molecular Formula | C12H9NOS |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.04048 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 4410-27-9 |
|---|---|
| SMILES | CSC1=NC2=C(O1)C=CC3=CC=CC=C32 |
| InChIKey | HPYQPLGUSVCKSX-UHFFFAOYSA-N |
Product Overview
2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole (CAS 4410-27-9), with molecular formula C12H9NOS and molecular weight 215.04 g/mol. IUPAC: 2-methylsulfanylbenzo[e][1,3]benzoxazole.
Chemical Property Profile of 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole
Property Insights of 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole
The XLogP value of 3.9 indicates that 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole 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-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole 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-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole?
The CAS number of 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole is 4410-27-9.
What is the molecular formula of 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole?
The molecular formula of 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole is C12H9NOS.
What is the molecular weight of 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole?
The molecular weight of 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole is 215.04 g/mol.
Where can I buy 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole?
You can request a quote for 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.