CAS RN: 1241675-76-2
(R)-DRF053 dihydrochloride
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.20260212 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250530 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260616 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251123 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260412 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1241675-76-2
- Purity/Analytical Methods: >99.0%
1241675-76-2 / (2R)-2-[[9-propan-2-yl-6-(3-pyridin-2-ylanilino)purin-2-yl]amino]butan-1-ol;dihydrochloride
Basic Information
CAS
1241675-76-2
Multi CAS
No
Molecular Formula
C23H29Cl2N7O
Molecular Weight
490.400000
Exact Mass
489.181064
SMILES
CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC=CC(=C3)C4=CC=CC=N4.Cl.Cl
InChI
InChI=1S/C23H27N7O.2ClH/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19;;/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29);2*1H/t17-;;/m1../s1
InChIKey
BQPRBNGSDBTKAK-ZEECNFPPSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
3
Molar refractivity
137.95
TPSA
100.78
LogP / Solubility
WLOGP
5.24
MLOGP
4.65
XLogP3
5.24
Consensus LogP
5.04
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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