CAS RN: 263717-53-9
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Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260504 | 25mg / 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS263717-53-9
- Purity/Analytical Methods: >99.0%
263717-53-9 / 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol
Basic Information
CAS
263717-53-9
Multi CAS
No
Molecular Formula
C24H22N2O3
Molecular Weight
386.400000
Exact Mass
386.163043
SMILES
CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3
InChIKey
IOTXSIGGFRQYKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
23
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
113.43
TPSA
78.51
LogP / Solubility
WLOGP
5.28
MLOGP
4.66
XLogP3
5.5
Consensus LogP
5.15
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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