CAS RN: 724709-68-6
PHENOLPHTHALEIN DIPHOSPHATE TETRASODIUM
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.20260626 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS724709-68-6
- Purity/Analytical Methods: >99.0%
724709-68-6 / 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one
Basic Information
CAS
724709-68-6
Multi CAS
Yes
Molecular Formula
C21H18O4
Molecular Weight
334.400000
Exact Mass
334.120509
InChI
InChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2
InChIKey
JJAWGNIQEOFURP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
19
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
97.13
TPSA
52.58
LogP / Solubility
WLOGP
4.94
MLOGP
4.36
XLogP3
5
Consensus LogP
4.77
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.65
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
No
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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