CAS RN: 154589-96-5
StaupriMide
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.20260329 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS154589-96-5
- Purity/Analytical Methods: >99.0%
154589-96-5 / N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide
Basic Information
CAS
154589-96-5
Multi CAS
No
Molecular Formula
C35H28N4O5
Molecular Weight
584.600000
Exact Mass
584.205970
SMILES
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)NC6=O)N(C)C(=O)C9=CC=CC=C9)OC
InChI
InChI=1S/C35H28N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31H,17H2,1-3H3,(H,36,40,41)/t23-,24-,31-,35+/m1/s1
InChIKey
MQCCJEYZKWZQHU-MPRCCEKMSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
26
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
165.75
TPSA
94.8
LogP / Solubility
WLOGP
5.55
MLOGP
4.93
XLogP3
4.8
Consensus LogP
5.09
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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