![CAS 911715-90-7 1-Pentanol, 2-[[2-aMino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyriMidin-7-yl]aMino]-4-Methyl-, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/911715-90-7.gif)
CAS RN: 911715-90-7
1-Pentanol, 2-[[2-aMino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyriMidin-7-yl]aMino]-4-Methyl-, (2R)-
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250803 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260428 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250923 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250706 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260303 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260615 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS911715-90-7
- Purity/Analytical Methods: >99.0%
911715-90-7 / (2R)-2-[[2-amino-5-[(1S)-1-phenylethyl]sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
Basic Information
CAS
911715-90-7
Multi CAS
Yes
Molecular Formula
C19H25N5OS2
Molecular Weight
403.600000
Exact Mass
403.150053
InChI
InChI=1S/C19H25N5OS2/c1-11(2)9-14(10-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,25H,9-10H2,1-3H3,(H3,20,21,22,23,24)/t12-,14+/m0/s1
InChIKey
ZMQSLMZOWVGBSM-GXTWGEPZSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
3
Molar refractivity
114.29
TPSA
96.95
LogP / Solubility
WLOGP
4.34
MLOGP
3.84
XLogP3
4.8
Consensus LogP
4.33
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
1-(3-methanesulfonylphenyl)ethan-1-ol
- CAS RN: 911715-97-4
- Product Code: starshine_CAS911715-97-4
- Purity/Analytical method: >99.0%
-
-
-
1-(1-ethyl-1H-pyrazol-3-yl)ethanamine(SALTDATA: FREE)
- CAS RN: 911788-34-6
- Product Code: starshine_CAS911788-34-6
- Purity/Analytical method: >99.0%
-
-
1H-Pyrazole-5-methanamine, .alpha.,1-dimethyl-
- CAS RN: 911788-37-9
- Product Code: SSC-204049
