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CAS 38660-35-4 3′,6′-bis(diethylamino)-2-phenylspiro[1H-isoindole-1,9′-[9H]xanthene]-3(2H)-one molecular structure lightbox
CAS RN: 38660-35-4

3′,6′-bis(diethylamino)-2-phenylspiro[1H-isoindole-1,9′-[9H]xanthene]-3(2H)-one

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 25mg / 100mg / 250mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS38660-35-4
  • Purity/Analytical Methods: >99.0%
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38660-35-4 / 3',6'-bis(diethylamino)-2-phenylspiro[isoindole-3,9'-xanthene]-1-one

Standard CAS: 38660-35-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38660-35-4
Multi CAS
No
Molecular Formula
C34H35N3O2
Molecular Weight
517.700000
Exact Mass
517.272927
InChI
InChI=1S/C34H35N3O2/c1-5-35(6-2)25-18-20-29-31(22-25)39-32-23-26(36(7-3)8-4)19-21-30(32)34(29)28-17-13-12-16-27(28)33(38)37(34)24-14-10-9-11-15-24/h9-23H,5-8H2,1-4H3
InChIKey
IMYNRKANUSOMGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
159.66
TPSA
36.02

LogP / Solubility

WLOGP
7.44
MLOGP
6.58
XLogP3
7
Consensus LogP
7.01
Log S (ESOL)
-7.73
Class (ESOL)
Insoluble
Log S (Ali)
-9.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.04
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)
-0.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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