CAS RN: 69876-58-0
Boc-Glu(OtBu)-ONp
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.20260104 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB890727
69876-58-0 / 5-O-tert-butyl 1-O-(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
Basic Information
CAS
69876-58-0
Multi CAS
Yes
Molecular Formula
C20H28N2O8
Molecular Weight
424.400000
Exact Mass
424.184566
InChI
InChI=1S/C20H28N2O8/c1-19(2,3)29-16(23)12-11-15(21-18(25)30-20(4,5)6)17(24)28-14-9-7-13(8-10-14)22(26)27/h7-10,15H,11-12H2,1-6H3,(H,21,25)/t15-/m0/s1
InChIKey
XGSZKZYRDFXIHX-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
1
Molar refractivity
106.97
TPSA
134.07
LogP / Solubility
WLOGP
3.52
MLOGP
3.12
XLogP3
3.4
Consensus LogP
3.35
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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