![CAS 196862-45-0 5H-Pyrrolo[1,2-a]imidazol-6-ol,6,7-dihydro-,(R)-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/196862-45-0.gif)
CAS RN: 196862-45-0
5H-Pyrrolo[1,2-a]imidazol-6-ol,6,7-dihydro-,(R)-(9CI)
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.20250409 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS196862-45-0
- Purity/Analytical Methods: >99.0%
196862-45-0 / (6R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-ol
Basic Information
CAS
196862-45-0
Multi CAS
No
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
SMILES
C1[C@H](CN2C1=NC=C2)O
InChI
InChI=1S/C6H8N2O/c9-5-3-6-7-1-2-8(6)4-5/h1-2,5,9H,3-4H2/t5-/m1/s1
InChIKey
OLXNUSXUUWAEGE-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.94
TPSA
38.05
LogP / Solubility
WLOGP
-0.2
MLOGP
-0.19
XLogP3
-0.6
Consensus LogP
-0.33
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
Class (SILICOS-IT)
Very 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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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