CAS RN: 34372-72-0
2′-(Dibenzylamino)-6′-(diethylamino)fluoran
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260201 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Hebei, Guangdong | Inquiry |
- Product code: ICTD3204
- Purity/Analytical Methods: >98.0%(T)(HPLC)
34372-72-0 / 2'-(dibenzylamino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Basic Information
CAS
34372-72-0
Multi CAS
Yes
Molecular Formula
C38H34N2O3
Molecular Weight
566.700000
Exact Mass
566.256943
InChI
InChI=1S/C38H34N2O3/c1-3-39(4-2)30-19-21-33-36(24-30)42-35-22-20-29(23-34(35)38(33)32-18-12-11-17-31(32)37(41)43-38)40(25-27-13-7-5-8-14-27)26-28-15-9-6-10-16-28/h5-24H,3-4,25-26H2,1-2H3
InChIKey
DXYZIGZCEVJFIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
171.03
TPSA
42.01
LogP / Solubility
WLOGP
8.31
MLOGP
7.35
XLogP3
8.1
Consensus LogP
7.92
Log S (ESOL)
-8.58
Class (ESOL)
Insoluble
Log S (Ali)
-10.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.28
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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