CAS RN: 57294-46-9
Cbz-Gly-L-Tyr-OBzl
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.20251002 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS57294-46-9
- Purity/Analytical Methods: >99.0%
57294-46-9 / benzyl 3-(4-hydroxyphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate
Basic Information
CAS
57294-46-9
Multi CAS
Yes
Molecular Formula
C26H26N2O6
Molecular Weight
462.500000
Exact Mass
462.179087
InChI
InChI=1S/C26H26N2O6/c29-22-13-11-19(12-14-22)15-23(25(31)33-17-20-7-3-1-4-8-20)28-24(30)16-27-26(32)34-18-21-9-5-2-6-10-21/h1-14,23,29H,15-18H2,(H,27,32)(H,28,30)
InChIKey
DABILGXQXJZFSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
124.61
TPSA
113.96
LogP / Solubility
WLOGP
3.09
MLOGP
2.75
XLogP3
3.8
Consensus LogP
3.21
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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