CAS RN: 57225-25-9
BOC-ORN(Z)-OSU
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.20250607 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS57225-25-9
- Purity/Analytical Methods: >99.0%
57225-25-9 / (2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoate
Basic Information
CAS
57225-25-9
Multi CAS
Yes
Molecular Formula
C22H29N3O8
Molecular Weight
463.500000
Exact Mass
463.195465
InChI
InChI=1S/C22H29N3O8/c1-22(2,3)32-21(30)24-16(19(28)33-25-17(26)11-12-18(25)27)10-7-13-23-20(29)31-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,23,29)(H,24,30)/t16-/m0/s1
InChIKey
AQJOXCKZJOXIAK-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
114.2
TPSA
140.34
LogP / Solubility
WLOGP
2.19
MLOGP
1.96
XLogP3
1.9
Consensus LogP
2.02
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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