CAS RN: 1613439-62-5
PF-05274857 HCl
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260223 | 100mg | In stock | Inquiry | ||
| Batchno.20250828 | 10mg | In stock | Inquiry | ||
| Batchno.20260313 | 25mg | In stock | Inquiry | ||
| Batchno.20250219 | 50mg | In stock | Inquiry | ||
| Batchno.20260415 | 5mg | In stock | Inquiry | ||
| Batchno.20250727 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1613439-62-5
- Purity/Analytical Methods: >99.0%
1613439-62-5 / 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methylsulfonylpropan-1-one;hydrochloride
Basic Information
CAS
1613439-62-5
Multi CAS
No
Molecular Formula
C20H26Cl2N4O3S
Molecular Weight
473.400000
Exact Mass
472.110267
SMILES
CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C.Cl
InChI
InChI=1S/C20H25ClN4O3S.ClH/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28;/h10-13H,4-9H2,1-3H3;1H
InChIKey
GULNFUQAVPTTQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
122.32
TPSA
83.47
LogP / Solubility
WLOGP
2.92
MLOGP
2.6
XLogP3
2.92
Consensus LogP
2.81
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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