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CAS 83816-59-5 3-Tert-butyl-5-iodosalicylaldehyde molecular structure lightbox
CAS RN: 83816-59-5

3-Tert-butyl-5-iodosalicylaldehyde

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-191521
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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: ＞97%
  • 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 83816-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

83816-59-5 / 3-tert-butyl-2-hydroxy-5-iodobenzaldehyde

Standard CAS: 83816-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83816-59-5
Multi CAS
No
Molecular Formula
C11H13IO2
Molecular Weight
304.120000
Exact Mass
303.996030
InChI
InChI=1S/C11H13IO2/c1-11(2,3)9-5-8(12)4-7(6-13)10(9)14/h4-6,14H,1-3H3
InChIKey
RWBVEYVFTZFSSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.91
TPSA
37.3

LogP / Solubility

WLOGP
3.11
MLOGP
2.75
XLogP3
3.9
Consensus LogP
3.25
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

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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