CAS RN: 50305-28-7
Z-TRP-OSU
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250329 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50305-28-7
- Purity/Analytical Methods: >99.0%
50305-28-7 / (2,5-dioxopyrrolidin-1-yl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
Basic Information
CAS
50305-28-7
Multi CAS
Yes
Molecular Formula
C23H21N3O6
Molecular Weight
435.400000
Exact Mass
435.143035
InChI
InChI=1S/C23H21N3O6/c27-20-10-11-21(28)26(20)32-22(29)19(12-16-13-24-18-9-5-4-8-17(16)18)25-23(30)31-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,25,30)/t19-/m0/s1
InChIKey
PLMKYGHASWACNG-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
15
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
112.73
TPSA
117.8
LogP / Solubility
WLOGP
2.61
MLOGP
2.33
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.52
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
3.5
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