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CAS 1219019-23-4 (6S)-6,7-dihydro-5H-Pyrrolo[1,2-a]iMidazol-6-ol molecular structure lightbox
CAS RN: 1219019-23-4

(6S)-6,7-dihydro-5H-Pyrrolo[1,2-a]iMidazol-6-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1219019-23-4
  • Purity/Analytical Methods: >99.0%
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1219019-23-4 / (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-ol

Standard CAS: 1219019-23-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219019-23-4
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-/m0/s1
InChIKey
OLXNUSXUUWAEGE-YFKPBYRVSA-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

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