CAS RN: 131747-54-1
2-Bromo-3-pyridinemethanol
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.20250718 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-038865
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, 0.25g, 25g, 100g
- 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 |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 5 In Stock | Shanghai | Inquiry |
| 10g | >98% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | >98% | 2 In Stock | Shanghai | Inquiry |
| 25g | >98% | 2 In Stock | Shanghai | Inquiry |
| 100g | >98% | 1 In Stock | Shanghai | Inquiry |
131747-54-1 / (2-bromo-3-pyridinyl)methanol
Basic Information
CAS
131747-54-1
Multi CAS
No
Molecular Formula
C6H6BrNO
Molecular Weight
188.020000
Exact Mass
186.963280
SMILES
C1=CC(=C(N=C1)Br)CO
InChI
InChI=1S/C6H6BrNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
InChIKey
QIQZUABMLGJKJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.86
TPSA
33.12
LogP / Solubility
WLOGP
1.34
MLOGP
1.17
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
