Benzoxazole, 2-(1-ethylpropyl)-
TL;DR: Benzoxazole, 2-(1-ethylpropyl)- (CAS 73713-91-4) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentan-3-yl-1,3-benzoxazole
Also Known As: 2-(3-Pentyl)benzoxazole, 2-(1-Ethylpropyl)-benzoxazole, BENZOXAZOLE, 2-(1-ETHYLPROPYL)-, 2-pentan-3-yl-1,3-benzoxazole, 2-(1-Ethylpropyl)benzoxazole
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 73713-91-4 |
|---|---|
| SMILES | CCC(CC)C1=NC2=CC=CC=C2O1 |
| InChIKey | RDAXMDUCABQPMT-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 2-(1-ethylpropyl)- (CAS 73713-91-4), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 2-pentan-3-yl-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-(1-ethylpropyl)-
Property Insights of Benzoxazole, 2-(1-ethylpropyl)-
The XLogP value of 3.6 indicates that Benzoxazole, 2-(1-ethylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, Benzoxazole, 2-(1-ethylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-(1-ethylpropyl)- has 0 hydrogen bond donor(s) and 2 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-(1-ethylpropyl)-?
The CAS number of Benzoxazole, 2-(1-ethylpropyl)- is 73713-91-4.
What is the molecular formula of Benzoxazole, 2-(1-ethylpropyl)-?
The molecular formula of Benzoxazole, 2-(1-ethylpropyl)- is C12H15NO.
What is the molecular weight of Benzoxazole, 2-(1-ethylpropyl)-?
The molecular weight of Benzoxazole, 2-(1-ethylpropyl)- is 189.12 g/mol.
Where can I buy Benzoxazole, 2-(1-ethylpropyl)-?
You can request a quote for Benzoxazole, 2-(1-ethylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-(1-ethylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-(1-ethylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.