CAS RN: 40356-52-3
Z-PYR-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.20260218 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40356-52-3
- Purity/Analytical Methods: >99.0%
40356-52-3 / 1-O-benzyl 2-O-(4-nitrophenyl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
Basic Information
CAS
40356-52-3
Multi CAS
Yes
Molecular Formula
C19H16N2O7
Molecular Weight
384.300000
Exact Mass
384.095751
InChI
InChI=1S/C19H16N2O7/c22-17-11-10-16(18(23)28-15-8-6-14(7-9-15)21(25)26)20(17)19(24)27-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1
InChIKey
ZRQOXQJWPSHSDJ-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
95.23
TPSA
116.05
LogP / Solubility
WLOGP
2.83
MLOGP
2.51
XLogP3
2.8
Consensus LogP
2.71
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
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)
-3.06
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
