CAS RN: 2084868-04-0
Capzimin
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260321 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2084868-04-0
- Purity/Analytical Methods: >99.0%
2084868-04-0 / N-[2-(1,3-thiazol-2-yl)ethyl]-8-[[3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
Basic Information
CAS
2084868-04-0
Multi CAS
No
Molecular Formula
C30H24N6O2S4
Molecular Weight
628.800000
Exact Mass
628.084359
SMILES
C1=CC2=CC(=CN=C2C(=C1)SSC3=CC=CC4=CC(=CN=C43)C(=O)NCCC5=NC=CS5)C(=O)NCCC6=NC=CS6
InChI
InChI=1S/C30H24N6O2S4/c37-29(33-9-7-25-31-11-13-39-25)21-15-19-3-1-5-23(27(19)35-17-21)41-42-24-6-2-4-20-16-22(18-36-28(20)24)30(38)34-10-8-26-32-12-14-40-26/h1-6,11-18H,7-10H2,(H,33,37)(H,34,38)
InChIKey
RNEOHKZPZKEZCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
30
Fraction Csp3
0.13
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
2
Molar refractivity
171.5
TPSA
109.76
LogP / Solubility
WLOGP
6.44
MLOGP
5.72
XLogP3
5.2
Consensus LogP
5.79
Log S (ESOL)
-7.6
Class (ESOL)
Insoluble
Log S (Ali)
-9.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.41
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)
-1.98
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
5.5
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