CAS RN: 1639417-54-1
Tenalisib R Enantiomer
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.20251231 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1639417-54-1
- Purity/Analytical Methods: >99.0%
1639417-54-1 / 3-(3-fluorophenyl)-2-[(1R)-1-(7H-purin-6-ylamino)propyl]chromen-4-one
Basic Information
CAS
1639417-54-1
Multi CAS
No
Molecular Formula
C23H18FN5O2
Molecular Weight
415.400000
Exact Mass
415.144453
SMILES
CC[C@H](C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)NC4=NC=NC5=C4NC=N5
InChI
InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m1/s1
InChIKey
HDXDQPRPFRKGKZ-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
25
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
116.22
TPSA
96.7
LogP / Solubility
WLOGP
4.83
MLOGP
4.28
XLogP3
4.2
Consensus LogP
4.44
Log S (ESOL)
-5.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.97
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)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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