![Benzoxazole, 2-[(3-pyridinylmethyl)thio]- structure](/static/products/869/86971-28-0.png)
Benzoxazole, 2-[(3-pyridinylmethyl)thio]-
TL;DR: Benzoxazole, 2-[(3-pyridinylmethyl)thio]- (CAS 86971-28-0) is a chemical compound with molecular formula C13H10N2OS and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazole
Also Known As: Benzoxazole, 2-[(3-pyridinylmethyl)thio]-, 2-(3-pyridylmethylthio)benzoxazole, 2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazole, Benzoxazole,2-[(3-pyridinylmethyl)thio], 2-(3-pyridylmethylsulfanyl)-1,3-benzoxazole
| Molecular Formula | C13H10N2OS |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 3.5151 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.05139 |
| Heavy Atoms | 17 |
| Complexity | 588.4106 |
Chemical Identifiers
| CAS Number | 86971-28-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC3=CN=CC=C3 |
Product Overview
Benzoxazole, 2-[(3-pyridinylmethyl)thio]- (CAS 86971-28-0), with molecular formula C13H10N2OS and molecular weight 242.05 g/mol. IUPAC: 2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-[(3-pyridinylmethyl)thio]-
Property Insights of Benzoxazole, 2-[(3-pyridinylmethyl)thio]-
The XLogP value of 3.5151 indicates that Benzoxazole, 2-[(3-pyridinylmethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, Benzoxazole, 2-[(3-pyridinylmethyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-[(3-pyridinylmethyl)thio]- 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-[(3-pyridinylmethyl)thio]-?
The CAS number of Benzoxazole, 2-[(3-pyridinylmethyl)thio]- is 86971-28-0.
What is the molecular formula of Benzoxazole, 2-[(3-pyridinylmethyl)thio]-?
The molecular formula of Benzoxazole, 2-[(3-pyridinylmethyl)thio]- is C13H10N2OS.
What is the molecular weight of Benzoxazole, 2-[(3-pyridinylmethyl)thio]-?
The molecular weight of Benzoxazole, 2-[(3-pyridinylmethyl)thio]- is 242.05 g/mol.
Where can I buy Benzoxazole, 2-[(3-pyridinylmethyl)thio]-?
You can request a quote for Benzoxazole, 2-[(3-pyridinylmethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-[(3-pyridinylmethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-[(3-pyridinylmethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.