![CAS 1249321-20-7 2-[Benzyl(cyclopropylmethyl)amino]ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1249321-20-7.gif)
CAS RN: 1249321-20-7
2-[Benzyl(cyclopropylmethyl)amino]ethanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260529 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-029281
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, 5g, 10g, 25g, 100g
- Available purity: ≥96%
- Inventory rows with stock: 5
- 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 | ≥96% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥96% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥96% | 3 In Stock | Beijing | Inquiry |
| 25g | ≥96% | 3 In Stock | Beijing | Inquiry |
| 100g | ≥96% | 1 In Stock | Shenzhen | Inquiry |
1249321-20-7 / 2-[benzyl(cyclopropylmethyl)amino]ethanol
Basic Information
CAS
1249321-20-7
Multi CAS
No
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
SMILES
C1CC1CN(CCO)CC2=CC=CC=C2
InChI
InChI=1S/C13H19NO/c15-9-8-14(11-13-6-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKey
PPSLXZJKVCPLHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.53
TPSA
23.47
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1249352-65-5 2-Chloro-4-[(cyclopropylcarbonyl)aMino]benzoic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1249352-65-5.gif)
