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: 10g, 5g, 1g, 25g, 100g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 10g | -- | 4 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 4 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
19819-98-8 / 2-(2-methylphenyl)ethanol
Basic Information
CAS
19819-98-8
Multi CAS
No
Molecular Formula
C9H12O
Molecular Weight
136.190000
Exact Mass
136.088815
SMILES
CC1=CC=CC=C1CCO
InChI
InChI=1S/C9H12O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,10H,6-7H2,1H3
InChIKey
RUGISKODRCWQNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.97
TPSA
20.23
LogP / Solubility
WLOGP
1.53
MLOGP
1.34
XLogP3
2.3
Consensus LogP
1.72
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.46
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
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1510 of 1513 companies (only 0.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
