2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride
TL;DR: 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride (CAS 70609-36-8) is a chemical compound with molecular formula C14H15BF6N2O and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[butyl(phenyl)boranyl] 2,2,2-trifluoro-N-(2,2,2-trifluoroethanimidoyl)ethanimidate
Also Known As: 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride, Ethanimidic acid, 2,2,2-trifluoro-N-(2,2,2-trifluoro-1-iminoethyl)-, anhydride with butylphenylborinic acid, [butyl(phenyl)boranyl] 2,2,2-trifluoro-N-(2,2,2-trifluoroethanimidoyl)ethanimidate, butyl(phenyl)boranyl 2,2,2-trifluoro-N-(2,2,2-trifluoroethanimidoyl)ethanimidate, 1-[((Z)-1-([Butyl(phenyl)boryl]oxy)-2,2,2-trifluoroethylidene)amino]-2,2,2-trifluoroethanimine
| Molecular Formula | C14H15BF6N2O |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 4.20217 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.11816 |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 70609-36-8 |
|---|---|
| SMILES | B(CCCC)(C1=CC=CC=C1)OC(=NC(=N)C(F)(F)F)C(F)(F)F |
| InChIKey | YUGNPRCBKHJPLJ-UHFFFAOYSA-N |
Product Overview
2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride (CAS 70609-36-8), with molecular formula C14H15BF6N2O and molecular weight 352.12 g/mol. IUPAC: [butyl(phenyl)boranyl] 2,2,2-trifluoro-N-(2,2,2-trifluoroethanimidoyl)ethanimidate.
Chemical Property Profile of 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride
Property Insights of 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride
The XLogP value of 4.20217 indicates that 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.4 Ų, 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride has 1 hydrogen bond donor(s) and 8 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 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride?
The CAS number of 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride is 70609-36-8.
What is the molecular formula of 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride?
The molecular formula of 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride is C14H15BF6N2O.
What is the molecular weight of 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride?
The molecular weight of 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride is 352.12 g/mol.
Where can I buy 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride?
You can request a quote for 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-N- ethanimidicacidB-butyl-B-phenylborinicanhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.