CAS RN: 1417789-20-8
(2-Nitro-phenyl)-(R)-pyrrolidin-3-yl-aMine hydrochloride
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.20250121 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1417789-20-8
- Purity/Analytical Methods: >99.0%
1417789-20-8 / (3R)-N-(2-nitrophenyl)pyrrolidin-3-amine;hydrochloride
Basic Information
CAS
1417789-20-8
Multi CAS
No
Molecular Formula
C10H14ClN3O2
Molecular Weight
243.690000
Exact Mass
243.077454
SMILES
C1CNC[C@@H]1NC2=CC=CC=C2[N+](=O)[O-].Cl
InChI
InChI=1S/C10H13N3O2.ClH/c14-13(15)10-4-2-1-3-9(10)12-8-5-6-11-7-8;/h1-4,8,11-12H,5-7H2;1H/t8-;/m1./s1
InChIKey
NEWCOMBVUIEGMO-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.24
TPSA
67.2
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.79
Consensus LogP
1.72
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(R)-3-(6-AMino-pyrazin-2-yloxy)-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1417789-26-4
- Product Code: starshine_CAS1417789-26-4
- Purity/Analytical method: >99.0%
-
(R)-3-(6-CyclopropylaMino-pyriMidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1417789-30-0
- Product Code: starshine_CAS1417789-30-0
- Purity/Analytical method: >99.0%
-
(3aR,6aR)-1-Methyl-5-ethoxycarbonylhexahydropyrrolo[3,4-b]pyrrole
- CAS RN: 1417789-32-2
- Product Code: SSC-052453
-
4-((S)-2-BenzyloxycarbonylaMino-3-Methyl-butyrylaMino)-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1417789-33-3
- Product Code: starshine_CAS1417789-33-3
- Purity/Analytical method: >99.0%
-
(S)-Morpholine-2-carbonitrile hydrochloride
- CAS RN: 1417789-39-9
- Product Code: starshine_CAS1417789-39-9
- Purity/Analytical method: >99.0%
-
(S)-3-(3-Chloro-5-trifluoroMethyl-pyridin-2-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1417789-41-3
- Product Code: starshine_CAS1417789-41-3
- Purity/Analytical method: >99.0%
![CAS 1417789-32-2 (3aR,6aR)-1-Methyl-5-ethoxycarbonylhexahydropyrrolo[3,4-b]pyrrole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02534385(2).gif)
.gif)
.gif)
.gif)