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CAS 98991-08-3 2-iodo-1-methoxy-3-nitro-benzene molecular structure lightbox
CAS RN: 98991-08-3

2-iodo-1-methoxy-3-nitro-benzene

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250123 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250430 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250325 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260413 25g In stock Shenzhen Inquiry
Batchno.20250615 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-212899
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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: 5g
  • 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 98991-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

98991-08-3 / 2-iodo-1-methoxy-3-nitrobenzene

Standard CAS: 98991-08-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98991-08-3
Multi CAS
No
Molecular Formula
C7H6InO3
Molecular Weight
279.030000
Exact Mass
278.939240
InChI
InChI=1S/C7H6INO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3
InChIKey
IJNNDGXIXMHYOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.37
TPSA
52.37

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
3
Consensus LogP
2.39
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.85

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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