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, 5g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 | -- | 1 In Stock | Shanghai | Inquiry |
| 0.1g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >98% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Beijing | Inquiry |
| 1g | >98% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 0 Out of Stock | Beijing | Inquiry |
| 5g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
884494-44-4 / (2-chloro-4-iodo-3-pyridinyl)methanol
Basic Information
CAS
884494-44-4
Multi CAS
No
Molecular Formula
C7H5LiNO
Molecular Weight
269.470000
Exact Mass
268.910440
InChI
InChI=1S/C6H5ClINO/c7-6-4(3-10)5(8)1-2-9-6/h1-2,10H,3H2
InChIKey
BZQRQPAKTCMYIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.89
TPSA
33.12
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
1.6
Consensus LogP
1.68
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
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)
-3.06
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
