3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine
TL;DR: 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine (CAS 891501-19-2) is a chemical compound with molecular formula C9H7F3N2O and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-3-(trifluoromethyl)diazirine
Also Known As: 3-(4-Methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine, p-OMe-PTD, 3-(4-methoxyphenyl)-3-(trifluoromethyl)diazirine, 3-(Trifluoromethyl)-3-(4-methoxyphenyl)-3H-diazirine, 3H-Diazirine, 3-(4-methoxyphenyl)-3-(trifluoromethyl)
| Molecular Formula | C9H7F3N2O |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 2.8761 |
| Topological Polar Surface Area | 33.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.05104 |
| Heavy Atoms | 15 |
| Complexity | 390.81363 |
Chemical Identifiers
| CAS Number | 891501-19-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2(N=N2)C(F)(F)F |
Product Overview
3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine (CAS 891501-19-2), with molecular formula C9H7F3N2O and molecular weight 216.05 g/mol. IUPAC: 3-(4-methoxyphenyl)-3-(trifluoromethyl)diazirine.
Chemical Property Profile of 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine
Property Insights of 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine
The XLogP value of 2.8761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine. With a topological polar surface area (TPSA) of 33.95 Ų, 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine has 0 hydrogen bond donor(s) and 3 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-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine?
The CAS number of 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine is 891501-19-2.
What is the molecular formula of 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine?
The molecular formula of 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine is C9H7F3N2O.
What is the molecular weight of 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine?
The molecular weight of 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine is 216.05 g/mol.
Where can I buy 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine?
You can request a quote for 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-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-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-3-(trifluoromethyl)-3H-diazirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.