![CAS 272438-84-3 7H-Pyrrolo[1,2-c]imidazol-7-one, 5,6-dihydro-, hydrobromide (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/272438-84-3.gif)
CAS RN: 272438-84-3
7H-Pyrrolo[1,2-c]imidazol-7-one, 5,6-dihydro-, hydrobromide (1:1)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260502 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS272438-84-3
- Purity/Analytical Methods: >99.0%
272438-84-3 / 5,6-dihydropyrrolo[1,2-c]imidazol-7-one;hydrobromide
Basic Information
CAS
272438-84-3
Multi CAS
No
Molecular Formula
BC6H7ORn2
Molecular Weight
203.040000
Exact Mass
201.974180
InChI
InChI=1S/C6H6N2O.BrH/c9-6-1-2-8-4-7-3-5(6)8;/h3-4H,1-2H2;1H
InChIKey
ZWEPELRETUIYDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.5
TPSA
34.89
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
1.05
Consensus LogP
1.01
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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