CAS RN: 2866-43-5
Fluorescent Brightener 185
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS2866-43-5
- Purity/Analytical Methods: >99.0%
2866-43-5 / 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
Basic Information
CAS
2866-43-5
Multi CAS
No
Molecular Formula
C18H10N2O2S
Molecular Weight
318.400000
Exact Mass
318.046299
InChI
InChI=1S/C18H10N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10H
InChIKey
UGFSLKRMHPGLFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
23
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
90.33
TPSA
52.06
LogP / Solubility
WLOGP
5.36
MLOGP
4.73
XLogP3
4.7
Consensus LogP
4.93
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.42
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)
-0.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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