Benzoxazole, 2-(2-propynylthio)-
TL;DR: Benzoxazole, 2-(2-propynylthio)- (CAS 52924-71-7) is a chemical compound with molecular formula C10H7NOS and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-ynylsulfanyl-1,3-benzoxazole
Also Known As: Benzoxazole, 2-(2-propynylthio)-, 2-prop-2-ynylthiobenzoxazole, 2-(Propargylthio)benzoxazole, KQMNAZBTAYXPGG-UHFFFAOYSA-, 2-prop-2-ynylsulfanyl-1,3-benzoxazole
| Molecular Formula | C10H7NOS |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | 2.5531 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.02484 |
| Heavy Atoms | 13 |
| Complexity | 422.13785 |
Chemical Identifiers
| CAS Number | 52924-71-7 |
|---|---|
| SMILES | C#CCSC1=NC2=CC=CC=C2O1 |
Product Overview
Benzoxazole, 2-(2-propynylthio)- (CAS 52924-71-7), with molecular formula C10H7NOS and molecular weight 189.02 g/mol. IUPAC: 2-prop-2-ynylsulfanyl-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-(2-propynylthio)-
Property Insights of Benzoxazole, 2-(2-propynylthio)-
The XLogP value of 2.5531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoxazole, 2-(2-propynylthio)-. With a topological polar surface area (TPSA) of 26.03 Ų, Benzoxazole, 2-(2-propynylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-(2-propynylthio)- 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 Benzoxazole, 2-(2-propynylthio)-?
The CAS number of Benzoxazole, 2-(2-propynylthio)- is 52924-71-7.
What is the molecular formula of Benzoxazole, 2-(2-propynylthio)-?
The molecular formula of Benzoxazole, 2-(2-propynylthio)- is C10H7NOS.
What is the molecular weight of Benzoxazole, 2-(2-propynylthio)-?
The molecular weight of Benzoxazole, 2-(2-propynylthio)- is 189.02 g/mol.
Where can I buy Benzoxazole, 2-(2-propynylthio)-?
You can request a quote for Benzoxazole, 2-(2-propynylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-(2-propynylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-(2-propynylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.