CAS RN: 877399-47-8
(R)-5-BroMo-N,N-bis-(tert-butoxycarbonyl)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-aMine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260608 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS877399-47-8
- Purity/Analytical Methods: >99.0%
877399-47-8 / tert-butyl N-[5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Basic Information
CAS
877399-47-8
Multi CAS
Yes
Molecular Formula
C23H26BRCL2FN2O5
Molecular Weight
580.300000
Exact Mass
578.038620
InChI
InChI=1S/C23H26BrCl2FN2O5/c1-12(17-14(25)8-9-15(27)18(17)26)32-16-10-13(24)11-28-19(16)29(20(30)33-22(2,3)4)21(31)34-23(5,6)7/h8-12H,1-7H3/t12-/m1/s1
InChIKey
ODVAQMSMMKGMLV-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
132.35
TPSA
77.96
LogP / Solubility
WLOGP
8.11
MLOGP
7.18
XLogP3
7
Consensus LogP
7.43
Log S (ESOL)
-8.54
Class (ESOL)
Insoluble
Log S (Ali)
-10.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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