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CAS 5812-07-7 SU 4312 molecular structure lightbox
CAS RN: 5812-07-7

SU 4312

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 100mg In stock Shanghai Inquiry
Batchno.20260101 1g Out of stock Inquiry
Batchno.20250713 1mg / 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
Batchno.20260125 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5812-07-7
  • Purity/Analytical Methods: >99.0%
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5812-07-7 / 3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one

Standard CAS: 5812-07-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5812-07-7
Multi CAS
Yes
Molecular Formula
C17H16N2O
Molecular Weight
264.320000
Exact Mass
264.126263
InChI
InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)
InChIKey
UAKWLVYMKBWHMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.71
TPSA
32.34

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3
Consensus LogP
3.04
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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