CAS RN: 195136-58-4
2′,7′-DIFLUOROFLUORESCEIN
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7 package records6 with current stock2 grade groups
- Product code: starshine_CAS195136-58-4
- Purity/Analytical Methods: >99.0%
195136-58-4 / 2',7'-difluoro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Basic Information
CAS
195136-58-4
Multi CAS
No
Molecular Formula
C20H10F2O5
Molecular Weight
368.300000
Exact Mass
368.049630
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)F)O)O)F
InChI
InChI=1S/C20H10F2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChIKey
FJXJIUHGLVUXQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.05
H-bond acceptors
5
H-bond donors
2
Molar refractivity
87.94
TPSA
75.99
LogP / Solubility
WLOGP
3.94
MLOGP
3.49
XLogP3
3.6
Consensus LogP
3.68
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
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
Yes
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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6-ISOPROPOXYPYRIDINE-3-CARBONITRILE
- CAS RN: 195140-86-4
- Product Code: starshine_CAS195140-86-4
- Purity/Analytical method: >99.0%
