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CAS 1320266-94-1 1-iodo-3-isopropyliMidazo[1,5-a]pyrazin-8-aMine molecular structure lightbox
CAS RN: 1320266-94-1

1-iodo-3-isopropyliMidazo[1,5-a]pyrazin-8-aMine

  • Product code: SSC-039072
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1320266-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1320266-94-1 / 1-iodo-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

Standard CAS: 1320266-94-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1320266-94-1
Multi CAS
No
Molecular Formula
C9H11IN4
Molecular Weight
302.120000
Exact Mass
302.002840
SMILES
CC(C)C1=NC(=C2N1C=CN=C2N)I
InChI
InChI=1S/C9H11IN4/c1-5(2)9-13-7(10)6-8(11)12-3-4-14(6)9/h3-5H,1-2H3,(H2,11,12)
InChIKey
CNEOZZDZHREDQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.21
TPSA
56.21

LogP / Solubility

WLOGP
2.04
MLOGP
1.81
XLogP3
2.3
Consensus LogP
2.05
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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