CAS RN: 2171386-10-8
RK-287107
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.20250916 | 2mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2171386-10-8
- Purity/Analytical Methods: >99.0%
2171386-10-8 / 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Basic Information
CAS
2171386-10-8
Multi CAS
No
Molecular Formula
C22H26F2N4O2
Molecular Weight
416.500000
Exact Mass
416.202382
SMILES
C1CCC2=C(C1)C(=O)NC(=N2)N3CCC4(CC3)CN(C5=C4C(=CC(=C5)F)F)CCO
InChI
InChI=1S/C22H26F2N4O2/c23-14-11-16(24)19-18(12-14)28(9-10-29)13-22(19)5-7-27(8-6-22)21-25-17-4-2-1-3-15(17)20(30)26-21/h11-12,29H,1-10,13H2,(H,25,26,30)
InChIKey
FZQYCOUBRJEYBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
110.28
TPSA
72.46
LogP / Solubility
WLOGP
2.28
MLOGP
2.03
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
1,3-Dioxoisoindolin-2-yl 2-methylbutanoate
- CAS RN: 2171537-18-9
- Product Code: starshine_CAS2171537-18-9
- Purity/Analytical method: >99.0%
-
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[(1E)-2-(2-methyl[1,1′-biphenyl]-3-yl)ethenyl]-
- CAS RN: 2171558-33-9
- Product Code: starshine_CAS2171558-33-9
- Purity/Analytical method: >99.0%
-
2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
- CAS RN: 2171780-01-9
- Product Code: SSC-104637
-
1H-Pyrazolo[3,4-c]pyridin-4-amine, 1-methyl-
- CAS RN: 2172072-40-9
- Product Code: SSC-104676
-
Palbociclib Impurity I
- CAS RN: 2172256-78-7
- Product Code: starshine_CAS2172256-78-7
- Purity/Analytical method: >99.0%
-
(S)-1-(3-BROMOPHENYL)ETHANAMINE HYDROCHLORIDE
- CAS RN: 2172274-44-9
- Product Code: SSC-104703
![CAS 2171558-33-9 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[(1E)-2-(2-methyl[1,1′-biphenyl]-3-yl)ethenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2171558-33-9.png)
![CAS 2172072-40-9 1H-Pyrazolo[3,4-c]pyridin-4-amine, 1-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172072-40-9.png)
