![(4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone structure](/static/products/861/861206-86-2.png)
(4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone
TL;DR: (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone (CAS 861206-86-2) is a chemical compound with molecular formula C19H16F3IN2O and molecular weight 472.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl)-[7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl]methanone
Also Known As: (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone, 1X-0213, 5-(4-iodobenzoyl)-7-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline, (4-iodophenyl)-[7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl]methanone
| Molecular Formula | C19H16F3IN2O |
|---|---|
| Molecular Weight | 472.03 g/mol |
| LogP | 4.9392 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 472.02594 |
| Heavy Atoms | 26 |
| Complexity | 850.853 |
Chemical Identifiers
| CAS Number | 861206-86-2 |
|---|---|
| SMILES | C1CC2CN(C3=C(N2C1)C=CC(=C3)C(F)(F)F)C(=O)C4=CC=C(C=C4)I |
Product Overview
(4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone (CAS 861206-86-2), with molecular formula C19H16F3IN2O and molecular weight 472.03 g/mol. IUPAC: (4-iodophenyl)-[7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl]methanone.
Chemical Property Profile of (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone
Property Insights of (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone
The XLogP value of 4.9392 indicates that (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone has 0 hydrogen bond donor(s) and 2 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 (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone?
The CAS number of (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone is 861206-86-2.
What is the molecular formula of (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone?
The molecular formula of (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone is C19H16F3IN2O.
What is the molecular weight of (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone?
The molecular weight of (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone is 472.03 g/mol.
Where can I buy (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone?
You can request a quote for (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-iodophenyl)[7-(trifluoromethyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.