CAS RN: 198821-22-6
MeriMepodib, VI-21497, VX-497
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251018 | 10mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250122 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20260104 | 25mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260117 | 2mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20260518 | 50mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251026 | 5mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS198821-22-6
- Purity/Analytical Methods: >99.0%
198821-22-6 / [(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
Basic Information
CAS
198821-22-6
Multi CAS
No
Molecular Formula
C23H24N4O6
Molecular Weight
452.500000
Exact Mass
452.169585
SMILES
COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)O[C@H]3CCOC3)C4=CN=CO4
InChI
InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1
InChIKey
JBPUGFODGPKTDW-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
120.12
TPSA
123.95
LogP / Solubility
WLOGP
4.01
MLOGP
3.56
XLogP3
2.1
Consensus LogP
3.22
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.77
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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