CAS RN: 56632-39-4
BHPI
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 2mg / 5mg / 10mg / 25mg / 50mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS56632-39-4
- Purity/Analytical Methods: >99.0%
56632-39-4 / 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
Basic Information
CAS
56632-39-4
Multi CAS
No
Molecular Formula
C21H17NO3
Molecular Weight
331.400000
Exact Mass
331.120843
InChI
InChI=1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25)
InChIKey
FABLAHMQSQFDHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
95.9
TPSA
69.56
LogP / Solubility
WLOGP
3.69
MLOGP
3.27
XLogP3
3.6
Consensus LogP
3.52
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
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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