CAS RN: 1439823-16-1
N-Ethyl-N-(tetrahydrofuran-3-yl)piperidin-4-aMine dihydrochloride
- Product code: SSC-055223
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1439823-16-1 / N-ethyl-N-(oxolan-3-yl)piperidin-4-amine;dihydrochloride
Basic Information
CAS
1439823-16-1
Multi CAS
No
Molecular Formula
C11H24Cl2N2O
Molecular Weight
271.220000
Exact Mass
270.126569
SMILES
CCN(C1CCNCC1)C2CCOC2.Cl.Cl
InChI
InChI=1S/C11H22N2O.2ClH/c1-2-13(11-5-8-14-9-11)10-3-6-12-7-4-10;;/h10-12H,2-9H2,1H3;2*1H
InChIKey
AKGGOVJDWPXJTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.99
TPSA
24.5
LogP / Solubility
WLOGP
1.69
MLOGP
1.5
XLogP3
1.69
Consensus LogP
1.63
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1439823-58-1 Tert-butyl 4-chloro-2-Morpholino-5H-pyrrolo[2,3-d]pyriMidine-7(6H)-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Tert-butyl 4-chloro-2-Morpholino-5H-pyrrolo[2,3-d]pyriMidine-7(6H)-carboxylate
- CAS RN: 1439823-58-1
- Product Code: starshine_CAS1439823-58-1
- Purity/Analytical method: >99.0%
-
-
Tert-butyl 3-((di-tert-butoxycarbonyl)aMino)-5-(1-hydroxyethyl)-1H-pyrazole-1-carboxylate
- CAS RN: 1439824-04-0
- Product Code: starshine_CAS1439824-04-0
- Purity/Analytical method: >99.0%
-
1-[(3-Fluorophenyl)methyl]cyclobutan-1-amine hydrochloride
- CAS RN: 1439896-38-4
- Product Code: SSC-055226
-
1-Cyclopropyl-2-methylpropan-2-amine hydrochloride
- CAS RN: 1439896-40-8
- Product Code: SSC-055227
-
1-(Cyclobutylmethyl)-1H-imidazole-4-carboxylic acid
- CAS RN: 1439896-61-3
- Product Code: SSC-055228
![CAS 1439823-58-1 Tert-butyl 4-chloro-2-Morpholino-5H-pyrrolo[2,3-d]pyriMidine-7(6H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1439823-58-1.gif)
![CAS 1439824-01-7 4-Chlorothiazolo[5,4-c]pyridin-2-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1439824-01-7.gif)
![CAS 1439896-38-4 1-[(3-Fluorophenyl)methyl]cyclobutan-1-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1439896-38-4.gif)
