CAS RN: 2227425-05-8
PF06869206
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.20250713 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2227425-05-8
- Purity/Analytical Methods: >99.0%
2227425-05-8 / 3-chloro-7-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
Basic Information
CAS
2227425-05-8
Multi CAS
No
Molecular Formula
C15H14ClF3N4O2
Molecular Weight
374.740000
Exact Mass
374.075738
SMILES
CC1=C(C2=C(N1)C(=C(C(=N2)C(F)(F)F)C#N)N3CCO[C@@H](C3)CO)Cl
InChI
InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKey
ATFQBBCQZKVZJN-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.6
TPSA
85.17
LogP / Solubility
WLOGP
2.61
MLOGP
2.32
XLogP3
1.9
Consensus LogP
2.28
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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