![1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone structure](/static/products/101/1014004-32-0.png)
1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone
TL;DR: 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone (CAS 1014004-32-0) is a chemical compound with molecular formula C19H16BrN3O3 and molecular weight 413.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone
Also Known As: 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone, 1-((1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl)ethanone
| Molecular Formula | C19H16BrN3O3 |
|---|---|
| Molecular Weight | 413.04 g/mol |
| LogP | 3.54 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.0375 |
| Heavy Atoms | 26 |
| Complexity | 912.5003 |
Chemical Identifiers
| CAS Number | 1014004-32-0 |
|---|---|
| SMILES | CC(=O)[C@@H]1[C@H]([C@@H]([C@@H]2N1N=CC3=CC=CC=C23)[N+](=O)[O-])C4=CC=C(C=C4)Br |
Product Overview
1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone (CAS 1014004-32-0), with molecular formula C19H16BrN3O3 and molecular weight 413.04 g/mol. IUPAC: 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone.
Chemical Property Profile of 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone
Property Insights of 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone
The XLogP value of 3.54 indicates that 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone. Following Lipinski's Rule of Five, 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone 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 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone?
The CAS number of 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone is 1014004-32-0.
What is the molecular formula of 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone?
The molecular formula of 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone is C19H16BrN3O3.
What is the molecular weight of 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone?
The molecular weight of 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone is 413.04 g/mol.
Where can I buy 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone?
You can request a quote for 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1S,2R,3S,10bR)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.