CAS RN: 1847485-91-9
Ilorasertib hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250503 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1847485-91-9
- Purity/Analytical Methods: >99.0%
1847485-91-9 / 1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea;hydrochloride
Basic Information
CAS
1847485-91-9
Multi CAS
No
Molecular Formula
C25H22ClFN6O2S
Molecular Weight
525.000000
Exact Mass
524.119751
SMILES
C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)N.Cl
InChI
InChI=1S/C25H21FN6O2S.ClH/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33;/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34);1H
InChIKey
SUKMSIXFLFTNHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
26
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
4
Molar refractivity
144.06
TPSA
118.09
LogP / Solubility
WLOGP
5.61
MLOGP
4.97
XLogP3
5.61
Consensus LogP
5.4
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.45
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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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