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: 5g, 25g, 1g, 10g, 100g
- 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 |
|---|---|---|---|---|
| 5g | >95% | 3 In Stock | Beijing | Inquiry |
| 25g | >95% | 3 In Stock | Beijing | Inquiry |
| 1g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
83766-88-5 / 3-(3-aminophenyl)propan-1-ol
Basic Information
CAS
83766-88-5
Multi CAS
Yes
Molecular Formula
C9H13NO
Molecular Weight
151.210000
Exact Mass
151.099714
InChI
InChI=1S/C9H13NO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,2,4,6,10H2
InChIKey
DGUAFFKNTIUOFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.26
TPSA
46.25
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1
Consensus LogP
1.08
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-2.79
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
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