CAS RN: 1795733-78-6
4-Morpholinecarboxylic acid, 2-(4-nitrophenyl)-, 1,1-dimethylethyl ester, (2S)-
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.20250209 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1795733-78-6
- Purity/Analytical Methods: >99.0%
1795733-78-6 / tert-butyl (2S)-2-(4-nitrophenyl)morpholine-4-carboxylate
Basic Information
CAS
1795733-78-6
Multi CAS
No
Molecular Formula
C15H20N2O5
Molecular Weight
308.330000
Exact Mass
308.137222
SMILES
CC(C)(C)OC(=O)N1CCO[C@H](C1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H20N2O5/c1-15(2,3)22-14(18)16-8-9-21-13(10-16)11-4-6-12(7-5-11)17(19)20/h4-7,13H,8-10H2,1-3H3/t13-/m1/s1
InChIKey
UOOPTEWQLLZXMX-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
79.6
TPSA
81.91
LogP / Solubility
WLOGP
2.9
MLOGP
2.57
XLogP3
2.1
Consensus LogP
2.52
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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