CAS RN: 70672-05-8
3′-O-Methylfluorescein
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.20250503 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS70672-05-8
- Purity/Analytical Methods: >99.0%
70672-05-8 / 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Basic Information
CAS
70672-05-8
Multi CAS
No
Molecular Formula
C21H14O5
Molecular Weight
346.300000
Exact Mass
346.084124
InChI
InChI=1S/C21H14O5/c1-24-13-7-9-17-19(11-13)25-18-10-12(22)6-8-16(18)21(17)15-5-3-2-4-14(15)20(23)26-21/h2-11,22H,1H3
InChIKey
KDXNYSZNOWTPLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
92.91
TPSA
64.99
LogP / Solubility
WLOGP
3.97
MLOGP
3.51
XLogP3
3.7
Consensus LogP
3.73
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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