CAS RN: 923604-59-5
Simeprevir
Product Availability
Choose a grade to view its available package options.
9 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260310 | 100mg | Out of stock | Inquiry | |
| Batchno.20260602 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250305 | 1g | Out of stock | Inquiry | |
| Batchno.20260116 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250224 | 250mg | Out of stock | Inquiry | |
| Batchno.20250113 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260521 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251125 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260201 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS923604-59-5
- Purity/Analytical Methods: >99.0%
923604-59-5 / (1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide
Basic Information
CAS
923604-59-5
Multi CAS
Yes
Molecular Formula
C38H47N5O7S2
Molecular Weight
749.900000
Exact Mass
749.291691
InChI
InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1
InChIKey
JTZZSQYMACOLNN-VDWJNHBNSA-N
Physical Properties
Appearance
White to almost white powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
15
Fraction Csp3
0.55
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
2
Molar refractivity
198.55
TPSA
156.89
LogP / Solubility
WLOGP
5.25
MLOGP
4.69
XLogP3
4.8
Consensus LogP
4.91
Log S (ESOL)
-7.49
Class (ESOL)
Insoluble
Log S (Ali)
-9.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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