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CAS 848444-83-7 3-Iodo-2-methyl-benzaldehyde molecular structure lightbox
CAS RN: 848444-83-7

3-Iodo-2-methyl-benzaldehyde

  • Product code: SSC-192527
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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, 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 848444-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

848444-83-7 / 3-iodo-2-methylbenzaldehyde

Standard CAS: 848444-83-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
848444-83-7
Multi CAS
No
Molecular Formula
C8H7IO
Molecular Weight
246.040000
Exact Mass
245.954160
InChI
InChI=1S/C8H7IO/c1-6-7(5-10)3-2-4-8(6)9/h2-5H,1H3
InChIKey
MHGFLJRDRKUCCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.28
TPSA
17.07

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-2.51

Drug-likeness / Medicinal Chemistry

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

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