![CAS 1817773-66-2 8-((S)-1-Cyclopropyl-ethyl)-2-(4-cyclopropyl-6-methyl-pyrimidin-5-yl)-6-[(5-methanesulfonyl-pyridin-2-ylmethyl)-amino]-8H-pteridin-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1817773-66-2.gif)
CAS RN: 1817773-66-2
8-((S)-1-Cyclopropyl-ethyl)-2-(4-cyclopropyl-6-methyl-pyrimidin-5-yl)-6-[(5-methanesulfonyl-pyridin-2-ylmethyl)-amino]-8H-pteridin-7-one
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260224 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250206 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260529 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251109 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20250621 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1817773-66-2
- Purity/Analytical Methods: >99.0%
1817773-66-2 / 8-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[(5-methylsulfonyl-2-pyridinyl)methylamino]pteridin-7-one
Basic Information
CAS
1817773-66-2
Multi CAS
No
Molecular Formula
C26H28N8O3S
Molecular Weight
532.600000
Exact Mass
532.200508
SMILES
CC1=C(C(=NC=N1)C2CC2)C3=NC=C4C(=N3)N(C(=O)C(=N4)NCC5=NC=C(C=C5)S(=O)(=O)C)[C@@H](C)C6CC6
InChI
InChI=1S/C26H28N8O3S/c1-14-21(22(17-6-7-17)31-13-30-14)23-29-12-20-25(33-23)34(15(2)16-4-5-16)26(35)24(32-20)28-10-18-8-9-19(11-27-18)38(3,36)37/h8-9,11-13,15-17H,4-7,10H2,1-3H3,(H,28,32)/t15-/m0/s1
InChIKey
HVVHIBHBDCYLDI-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
22
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
1
Molar refractivity
141.44
TPSA
145.51
LogP / Solubility
WLOGP
3.21
MLOGP
2.87
XLogP3
1.1
Consensus LogP
2.39
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P319, and P501
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