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CAS 4102-53-8 4-Iodo-2,6-dimethylaniline molecular structure lightbox
CAS RN: 4102-53-8

4-Iodo-2,6-dimethylaniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260417 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: SSC-149421
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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, 5g, 10g
  • 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 4102-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

4102-53-8 / 4-iodo-2,6-dimethylaniline

Standard CAS: 4102-53-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4102-53-8
Multi CAS
Yes
Molecular Formula
C8H10In
Molecular Weight
247.080000
Exact Mass
246.985800
InChI
InChI=1S/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
InChIKey
BJJSUOOEBCCLNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.05
TPSA
26.02

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-2.46

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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