CAS RN: 1831830-20-6
IL-15-IN-1
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.20260609 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1831830-20-6
- Purity/Analytical Methods: >99.0%
1831830-20-6 / ethyl 3-[8-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]octanoylamino]benzoate
Basic Information
CAS
1831830-20-6
Multi CAS
No
Molecular Formula
C30H36N6O4S
Molecular Weight
576.700000
Exact Mass
576.251875
SMILES
CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCCCCCSC2=NN=C(N2C)CC3=NN(C(=O)C4=CC=CC=C43)C
InChI
InChI=1S/C30H36N6O4S/c1-4-40-29(39)21-13-12-14-22(19-21)31-27(37)17-8-6-5-7-11-18-41-30-33-32-26(35(30)2)20-25-23-15-9-10-16-24(23)28(38)36(3)34-25/h9-10,12-16,19H,4-8,11,17-18,20H2,1-3H3,(H,31,37)
InChIKey
GWNFQAKCJYEJEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
21
Fraction Csp3
0.4
Rotatable bonds
14
H-bond acceptors
10
H-bond donors
1
Molar refractivity
160.25
TPSA
121
LogP / Solubility
WLOGP
4.9
MLOGP
4.36
XLogP3
4.4
Consensus LogP
4.55
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.16
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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