3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine
TL;DR: 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine (CAS 85903-25-9) is a chemical compound with molecular formula C8H4F3IN2 and molecular weight 311.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-iodophenyl)-3-(trifluoromethyl)diazirine
Also Known As: Tfmipda, 3- -3- diazirine, 3-(trifluoromethyl)-3-(3-iodophenyl)diazirine, 3-(3-Iodophenyl)-3-(trifluoromethyl)-3H-diazirine, 3-(Trifluoromethyl)-3-(m-iodophenyl)diazirine
| Molecular Formula | C8H4F3IN2 |
|---|---|
| Molecular Weight | 311.94 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.93713 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 85903-25-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)C2(N=N2)C(F)(F)F |
| InChIKey | GWDYFACLJZJKIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine (CAS 85903-25-9), with molecular formula C8H4F3IN2 and molecular weight 311.94 g/mol. IUPAC: 3-(3-iodophenyl)-3-(trifluoromethyl)diazirine.
Chemical Property Profile of 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine
Property Insights of 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine
The XLogP value of 3.6 indicates that 3-(Trifluoromethyl)-3-(3-iodophenyl)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-(Trifluoromethyl)-3-(3-iodophenyl)diazirine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)-3-(3-iodophenyl)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-(Trifluoromethyl)-3-(3-iodophenyl)diazirine?
The CAS number of 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine is 85903-25-9.
What is the molecular formula of 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine?
The molecular formula of 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine is C8H4F3IN2.
What is the molecular weight of 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine?
The molecular weight of 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine is 311.94 g/mol.
Where can I buy 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine?
You can request a quote for 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.