CAS RN: 1036488-30-8
(R)-1-BOC-3-(4-AMINOPHENOXY)-PYRROLIDINE
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.20251114 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1036488-30-8
- Purity/Analytical Methods: >99.0%
1036488-30-8 / tert-butyl (3R)-3-(4-aminophenoxy)pyrrolidine-1-carboxylate
(R)-tert-Butyl 3-(4-aminophenoxy)pyrrolidine-1-carboxylate | tert-butyl (3R)-3-(4-aminophenoxy)pyrrolidine-1-carboxylate | MFCD11849608
Basic Information
CAS
1036488-30-8
Multi CAS
Yes
Molecular Formula
C15H22N2O3
Molecular Weight
278.350000
Exact Mass
278.163043
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-9-8-13(10-17)19-12-6-4-11(16)5-7-12/h4-7,13H,8-10,16H2,1-3H3/t13-/m1/s1
InChIKey
RYWQNZFJMSYAED-CYBMUJFWSA-N
Synonyms
(R)-tert-Butyl 3-(4-aminophenoxy)pyrrolidine-1-carboxylate
tert-butyl (3R)-3-(4-aminophenoxy)pyrrolidine-1-carboxylate
MFCD11849608
(R)-1-Boc-3-(4-aminophenoxy)pyrrolidine
Tert-butyl (R)-3-(4-aminophenoxy)pyrrolidine-1-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.69
TPSA
64.79
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.3
Consensus LogP
2.44
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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