3-(4-Tolyl)-3-(trifluoromethyl)diazirine
TL;DR: 3-(4-Tolyl)-3-(trifluoromethyl)diazirine (CAS 87736-85-4) is a chemical compound with molecular formula C9H7F3N2 and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-3-(trifluoromethyl)diazirine
Also Known As: TTFDA, 3-(4-Tolyl)-3-(trifluoromethyl)diazirine, 3-(4-methylphenyl)-3-(trifluoromethyl)diazirine, 3-(p-Tolyl)-3-(trifluoromethyl)-3H-diazirine, 3-(4-Methylphenyl)-3-(trifluoromethyl)-3H-diazirine
| Molecular Formula | C9H7F3N2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.05614 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 87736-85-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(N=N2)C(F)(F)F |
| InChIKey | MZEBDXPEMDZNHB-UHFFFAOYSA-N |
Product Overview
3-(4-Tolyl)-3-(trifluoromethyl)diazirine (CAS 87736-85-4), with molecular formula C9H7F3N2 and molecular weight 200.06 g/mol. IUPAC: 3-(4-methylphenyl)-3-(trifluoromethyl)diazirine.
Chemical Property Profile of 3-(4-Tolyl)-3-(trifluoromethyl)diazirine
Property Insights of 3-(4-Tolyl)-3-(trifluoromethyl)diazirine
The XLogP value of 3.3 indicates that 3-(4-Tolyl)-3-(trifluoromethyl)diazirine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.7 Ų, 3-(4-Tolyl)-3-(trifluoromethyl)diazirine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Tolyl)-3-(trifluoromethyl)diazirine has 0 hydrogen bond donor(s) and 5 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 3-(4-Tolyl)-3-(trifluoromethyl)diazirine?
The CAS number of 3-(4-Tolyl)-3-(trifluoromethyl)diazirine is 87736-85-4.
What is the molecular formula of 3-(4-Tolyl)-3-(trifluoromethyl)diazirine?
The molecular formula of 3-(4-Tolyl)-3-(trifluoromethyl)diazirine is C9H7F3N2.
What is the molecular weight of 3-(4-Tolyl)-3-(trifluoromethyl)diazirine?
The molecular weight of 3-(4-Tolyl)-3-(trifluoromethyl)diazirine is 200.06 g/mol.
Where can I buy 3-(4-Tolyl)-3-(trifluoromethyl)diazirine?
You can request a quote for 3-(4-Tolyl)-3-(trifluoromethyl)diazirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Tolyl)-3-(trifluoromethyl)diazirine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Tolyl)-3-(trifluoromethyl)diazirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.