N-Ethylbenzisoxazolium tetrafluoroborate
TL;DR: N-Ethylbenzisoxazolium tetrafluoroborate (CAS 4611-62-5) is a chemical compound with molecular formula C9H10BF4NO and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,2-benzoxazol-2-ium tetrafluoroborate
Also Known As: N-ETHYLBENZISOXAZOLIUM TETRAFLUOROBORATE, EINECS 225-019-3, N-ETHYLBENZISOXAZOLIUMTETRAFLUOROBORATE, 2-Ethyl-1,2-benzisoxazolium tetrafluoroborate, 2-Ethyl-1,2-benzisoxazole tetrafluoroborate
| Molecular Formula | C9H10BF4NO |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 3.0402 |
| Topological Polar Surface Area | 17.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.07916 |
| Heavy Atoms | 16 |
| Complexity | 414.95087 |
Chemical Identifiers
| CAS Number | 4611-62-5 |
|---|---|
| SMILES | [B-](F)(F)(F)F.CC[N+]1=CC2=CC=CC=C2O1 |
Product Overview
N-Ethylbenzisoxazolium tetrafluoroborate (CAS 4611-62-5), with molecular formula C9H10BF4NO and molecular weight 235.08 g/mol. IUPAC: 2-ethyl-1,2-benzoxazol-2-ium tetrafluoroborate.
Chemical Property Profile of N-Ethylbenzisoxazolium tetrafluoroborate
Property Insights of N-Ethylbenzisoxazolium tetrafluoroborate
The XLogP value of 3.0402 indicates that N-Ethylbenzisoxazolium tetrafluoroborate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.02 Ų, N-Ethylbenzisoxazolium tetrafluoroborate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethylbenzisoxazolium tetrafluoroborate has 0 hydrogen bond donor(s) and 1 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 N-Ethylbenzisoxazolium tetrafluoroborate?
The CAS number of N-Ethylbenzisoxazolium tetrafluoroborate is 4611-62-5.
What is the molecular formula of N-Ethylbenzisoxazolium tetrafluoroborate?
The molecular formula of N-Ethylbenzisoxazolium tetrafluoroborate is C9H10BF4NO.
What is the molecular weight of N-Ethylbenzisoxazolium tetrafluoroborate?
The molecular weight of N-Ethylbenzisoxazolium tetrafluoroborate is 235.08 g/mol.
Where can I buy N-Ethylbenzisoxazolium tetrafluoroborate?
You can request a quote for N-Ethylbenzisoxazolium tetrafluoroborate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethylbenzisoxazolium tetrafluoroborate?
Yes, KEHONG BIO provides custom synthesis services for N-Ethylbenzisoxazolium tetrafluoroborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.