CAS RN: 146812-68-2
3-(1-Amino-2-hydroxyethyl)phenol hydrochloride
- Product code: SSC-057740
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
146812-68-2 / 3-(1-amino-2-hydroxyethyl)phenol;hydrochloride
Basic Information
CAS
146812-68-2
Multi CAS
No
Molecular Formula
C8H12ClNO2
Molecular Weight
189.640000
Exact Mass
189.055656
SMILES
C1=CC(=CC(=C1)O)C(CO)N.Cl
InChI
InChI=1S/C8H11NO2.ClH/c9-8(5-10)6-2-1-3-7(11)4-6;/h1-4,8,10-11H,5,9H2;1H
InChIKey
HUADLLHIHCGJGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
49.37
TPSA
66.48
LogP / Solubility
WLOGP
0.81
MLOGP
0.71
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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