CAS RN: 1227601-71-9
(3-bromo-6-chloropyridin-2-yl)methanol
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-026190
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, 0.25g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 4
- 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 | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 2 In Stock | Beijing | Inquiry |
| 10g | >95% | 1 In Stock | Shanghai | Inquiry |
| 25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
1227601-71-9 / (3-bromo-6-chloro-2-pyridinyl)methanol
Basic Information
CAS
1227601-71-9
Multi CAS
No
Molecular Formula
C6H5BrClNO
Molecular Weight
222.470000
Exact Mass
220.924300
SMILES
C1=CC(=NC(=C1Br)CO)Cl
InChI
InChI=1S/C6H5BrClNO/c7-4-1-2-6(8)9-5(4)3-10/h1-2,10H,3H2
InChIKey
HOVCGEVZLGMGSK-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
42.87
TPSA
33.12
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
