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CAS 90347-66-3 METHYL 3-IODO-4-METHYLBENZOATE molecular structure lightbox
CAS RN: 90347-66-3

METHYL 3-IODO-4-METHYLBENZOATE

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 100g In stock Wuhan Inquiry
Batchno.20251103 10g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251212 25g Out of stock Inquiry
Batchno.20250408 500g Out of stock Inquiry
Batchno.20260630 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-202816
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90347-66-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Shanghai Inquiry
25g ≥98% 3 In Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

90347-66-3 / methyl 3-iodo-4-methylbenzoate

Standard CAS: 90347-66-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90347-66-3
Multi CAS
No
Molecular Formula
C9H9IO2
Molecular Weight
276.070000
Exact Mass
275.964730
InChI
InChI=1S/C9H9IO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChIKey
NKMHAOTZPFVSPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.24
TPSA
26.3

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.8
Consensus LogP
2.43
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.71

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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