CAS RN: 5471-81-8
Methyl 4-Iodo-3-methylbenzoate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260616 | 10g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-162545
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, 25g, 5g, 100g, 10g
- Available purity: ≥98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 4 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
5471-81-8 / methyl 4-iodo-3-methylbenzoate
Basic Information
CAS
5471-81-8
Multi CAS
Yes
Molecular Formula
C9H9IO2
Molecular Weight
276.070000
Exact Mass
275.964730
InChI
InChI=1S/C9H9IO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
InChIKey
HCSGWQGKCVQIRM-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
