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CAS 1331850-55-5 Quinazoline, 2-iodo- molecular structure lightbox
CAS RN: 1331850-55-5

Quinazoline, 2-iodo-

  • Product code: SSC-039862
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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: 1g
  • 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 1331850-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1331850-55-5 / 2-iodoquinazoline

Standard CAS: 1331850-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1331850-55-5
Multi CAS
No
Molecular Formula
C8H5IN2
Molecular Weight
256.040000
Exact Mass
255.949750
SMILES
C1=CC=C2C(=C1)C=NC(=N2)I
InChI
InChI=1S/C8H5IN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H
InChIKey
FWMBEYDLDLJTDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
52.26
TPSA
25.78

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

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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