CAS RN: 1823565-63-4
Methyl 2-Amino-4-fluoro-5-iodobenzoate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251118 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-083781
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: 0.1g, 0.25g, 1g, 10g, 5g
- Available purity: >95%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 3 In Stock | Beijing | Inquiry |
| 5g | -- | 3 In Stock | Beijing | Inquiry |
1823565-63-4 / methyl 2-amino-4-fluoro-5-iodobenzoate
Basic Information
CAS
1823565-63-4
Multi CAS
No
Molecular Formula
C8H7FINO2
Molecular Weight
295.050000
Exact Mass
294.950550
SMILES
COC(=O)C1=CC(=C(C=C1N)F)I
InChI
InChI=1S/C8H7FINO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3
InChIKey
AQKDYPGTTAXJRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.87
TPSA
52.32
LogP / Solubility
WLOGP
1.8
MLOGP
1.59
XLogP3
2.4
Consensus LogP
1.93
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
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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