CAS RN: 2107805-46-7
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol
- Product code: SSC-100477
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2107805-46-7 / 1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol
Basic Information
CAS
2107805-46-7
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
CC(C1CC2=CC=CC=C2CN1)O
InChI
InChI=1S/C11H15NO/c1-8(13)11-6-9-4-2-3-5-10(9)7-12-11/h2-5,8,11-13H,6-7H2,1H3
InChIKey
AWXQGNNJUXZPRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.45
TPSA
32.26
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
1.1
Consensus LogP
1.04
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
O-Ethyl S-((2-(trifluoromethyl)pyridin-3-yl)methyl) carbonodithioate
- CAS RN: 2107987-89-1
- Product Code: starshine_CAS2107987-89-1
- Purity/Analytical method: >99.0%
-
WOBE437
- CAS RN: 2108100-73-6
- Product Code: starshine_CAS2108100-73-6
- Purity/Analytical method: >99.0%
-
8-Fluoro-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
- CAS RN: 2108131-55-9
- Product Code: SSC-100506
-
-
5-[(Benzyloxy)methyl]-1-methyl-1H-tetrazole
- CAS RN: 2108176-82-3
- Product Code: SSC-100510
-
4-(Dibenzylamino)-3-fluoro-2-methyl-2-butanol
- CAS RN: 2108176-83-4
- Product Code: SSC-100511
![CAS 2108131-55-9 8-Fluoro-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2108131-55-9.gif)
![CAS 2108176-82-3 5-[(Benzyloxy)methyl]-1-methyl-1H-tetrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2108176-82-3.png)
