CAS RN: 337520-16-8
t-Butyl 4-(2-bromo-4-nitrophenoxy)piperidine-1-carboxylate
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.20250829 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS337520-16-8
- Purity/Analytical Methods: >99.0%
337520-16-8 / tert-butyl 4-(2-bromo-4-nitrophenoxy)piperidine-1-carboxylate
Basic Information
CAS
337520-16-8
Multi CAS
No
Molecular Formula
BC16H21O5Rn2
Molecular Weight
401.250000
Exact Mass
400.063380
InChI
InChI=1S/C16H21BrN2O5/c1-16(2,3)24-15(20)18-8-6-12(7-9-18)23-14-5-4-11(19(21)22)10-13(14)17/h4-5,10,12H,6-9H2,1-3H3
InChIKey
XHXMEPDDTAZFPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
92.25
TPSA
81.91
LogP / Solubility
WLOGP
4.14
MLOGP
3.66
XLogP3
3.9
Consensus LogP
3.9
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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