.gif)
CAS RN: 1353977-27-1
1-(6-CyclopropylaMino-2-Methylsulfanyl-pyriMidin-4-yl)-piperidin-4-ol
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.20251207 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353977-27-1
- Purity/Analytical Methods: >99.0%
1353977-27-1 / 1-[6-(cyclopropylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
Basic Information
CAS
1353977-27-1
Multi CAS
No
Molecular Formula
C13H20N4OS
Molecular Weight
280.390000
Exact Mass
280.135782
SMILES
CSC1=NC(=CC(=N1)N2CCC(CC2)O)NC3CC3
InChI
InChI=1S/C13H20N4OS/c1-19-13-15-11(14-9-2-3-9)8-12(16-13)17-6-4-10(18)5-7-17/h8-10,18H,2-7H2,1H3,(H,14,15,16)
InChIKey
ZDJJBWTWQCSNOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
77.91
TPSA
61.28
LogP / Solubility
WLOGP
1.73
MLOGP
1.54
XLogP3
2.2
Consensus LogP
1.82
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(4-AMino-piperidin-1-ylMethyl)-benzonitrile hydrochloride
- CAS RN: 1353977-72-6
- Product Code: SSC-043693
-
4-(6-DiethylaMino-pyriMidin-4-yl)-2-Methyl-piperazine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353977-99-7
- Product Code: starshine_CAS1353977-99-7
- Purity/Analytical method: >99.0%
-
4-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-2-Methyl-piperazine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353978-12-7
- Product Code: starshine_CAS1353978-12-7
- Purity/Analytical method: >99.0%
-
1-(6-CyclopropylaMino-pyriMidin-4-yl)-piperidine-4-carboxylic acid
- CAS RN: 1353978-16-1
- Product Code: starshine_CAS1353978-16-1
- Purity/Analytical method: >99.0%
-
4-(2-Chloro-pyridine-3-carbonyl)-2-Methyl-piperazine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353978-39-8
- Product Code: SSC-043694
-
(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-MethylaMino-piperidin-1-yl)-Methanone hydrochloride
- CAS RN: 1353978-43-4
- Product Code: starshine_CAS1353978-43-4
- Purity/Analytical method: >99.0%
.gif)
.gif)
![CAS 1353978-12-7 4-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-2-Methyl-piperazine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1353978-12-7.gif)
.gif)
.gif)
![CAS 1353978-43-4 (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-MethylaMino-piperidin-1-yl)-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02575056(1).gif)