CAS RN: 1883548-93-3
Mps1-IN-1 dihydrochloride
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.20250418 | 10mg / 50mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1883548-93-3
- Purity/Analytical Methods: >99.0%
1883548-93-3 / 1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]piperidin-4-ol;dihydrochloride
Basic Information
CAS
1883548-93-3
Multi CAS
No
Molecular Formula
C28H35Cl2N5O4S
Molecular Weight
608.600000
Exact Mass
607.178681
SMILES
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=CC(=NC3=C2C=CN3)NC4=C(C=C(C=C4)N5CCC(CC5)O)OC.Cl.Cl
InChI
InChI=1S/C28H33N5O4S.2ClH/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33;;/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32);2*1H
InChIKey
HFJLUXGXTPNYTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
21
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
4
Molar refractivity
166.37
TPSA
119.58
LogP / Solubility
WLOGP
6.05
MLOGP
5.37
XLogP3
6.05
Consensus LogP
5.82
Log S (ESOL)
-7.28
Class (ESOL)
Insoluble
Log S (Ali)
-8.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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