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, 0.25g, 5g, 10g, 25g, 100g
- Available purity: >97%
- 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 | >97% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 2 In Stock | Shanghai | Inquiry |
| 5g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
105250-17-7 / (2-amino-4-pyridinyl)methanol
(2-aminopyridin-4-yl)methanol | DTXSID00363945 | RefChem:395390
Basic Information
CAS
105250-17-7
Multi CAS
Yes
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
SMILES
C1=CN=C(C=C1CO)N
InChI
InChI=1S/C6H8N2O/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2,(H2,7,8)
InChIKey
ZRJJXXDQIQFZBW-UHFFFAOYSA-N
Synonyms
(2-aminopyridin-4-yl)methanol
DTXSID00363945
RefChem:395390
DTXCID40314991
641-277-3
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.57
TPSA
59.14
LogP / Solubility
WLOGP
0.16
MLOGP
0.13
XLogP3
-0.7
Consensus LogP
-0.14
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (83.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (95.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
