CAS RN: 1029317-21-2
PF04191834
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.20250915 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1029317-21-2
- Purity/Analytical Methods: >99.0%
1029317-21-2 / 4-[3-[4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide
PF-4191834 | PF-04191834 | YX55DXP4T1
Basic Information
CAS
1029317-21-2
Multi CAS
No
Molecular Formula
C22H23N3O2S
Molecular Weight
393.500000
Exact Mass
393.151098
SMILES
CN1C(=CC=N1)C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N
InChI
InChI=1S/C22H23N3O2S/c1-25-20(9-12-24-25)16-5-7-18(8-6-16)28-19-4-2-3-17(15-19)22(21(23)26)10-13-27-14-11-22/h2-9,12,15H,10-11,13-14H2,1H3,(H2,23,26)
InChIKey
DVNQWYLVSNPCJZ-UHFFFAOYSA-N
Synonyms
PF-4191834
PF-04191834
YX55DXP4T1
PF 4191834
DTXSID70145573
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
110.13
TPSA
70.14
LogP / Solubility
WLOGP
3.77
MLOGP
3.34
XLogP3
3
Consensus LogP
3.37
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44
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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