CAS RN: 1417789-30-0
(R)-3-(6-CyclopropylaMino-pyriMidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
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.20250105 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1417789-30-0
- Purity/Analytical Methods: >99.0%
1417789-30-0 / tert-butyl (3R)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypyrrolidine-1-carboxylate
Basic Information
CAS
1417789-30-0
Multi CAS
No
Molecular Formula
C16H24N4O3
Molecular Weight
320.390000
Exact Mass
320.184841
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)OC2=NC=NC(=C2)NC3CC3
InChI
InChI=1S/C16H24N4O3/c1-16(2,3)23-15(21)20-7-6-12(9-20)22-14-8-13(17-10-18-14)19-11-4-5-11/h8,10-12H,4-7,9H2,1-3H3,(H,17,18,19)/t12-/m1/s1
InChIKey
PHDFYBYSMOSPPI-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
85.52
TPSA
76.58
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1417789-32-2 (3aR,6aR)-1-Methyl-5-ethoxycarbonylhexahydropyrrolo[3,4-b]pyrrole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(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%
-
(S)-1-(3-Methoxy-4-nitro-phenyl)-pyrrolidin-3-ol
- CAS RN: 1417789-44-6
- Product Code: starshine_CAS1417789-44-6
- Purity/Analytical method: >99.0%
-
(S)-methyl morpholine-2-carboxylate hydrochloride
- CAS RN: 1417789-45-7
- Product Code: SSC-052454
![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)
