2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole
TL;DR: 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole (CAS 861206-65-7) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-6-pyrrol-1-yl-1,3-benzoxazole
Also Known As: 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole, 2-ethyl-6-pyrrol-1-yl-1,3-benzoxazole, 2-ethyl-6-(pyrrol-1-yl)-1,3-benzoxazole, 1W-0940
| Molecular Formula | C13H12N2O |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 3.1809 |
| Topological Polar Surface Area | 30.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.09496 |
| Heavy Atoms | 16 |
| Complexity | 607.9439 |
Chemical Identifiers
| CAS Number | 861206-65-7 |
|---|---|
| SMILES | CCC1=NC2=C(O1)C=C(C=C2)N3C=CC=C3 |
Product Overview
2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole (CAS 861206-65-7), with molecular formula C13H12N2O and molecular weight 212.09 g/mol. IUPAC: 2-ethyl-6-pyrrol-1-yl-1,3-benzoxazole.
Chemical Property Profile of 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole
Property Insights of 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole
The XLogP value of 3.1809 indicates that 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.96 Ų, 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole 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 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole?
The CAS number of 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole is 861206-65-7.
What is the molecular formula of 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole?
The molecular formula of 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole is C13H12N2O.
What is the molecular weight of 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole?
The molecular weight of 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole is 212.09 g/mol.
Where can I buy 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole?
You can request a quote for 2-ethyl-6-(1H-pyrrol-1-yl)-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-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl-6-(1H-pyrrol-1-yl)-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.