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CAS 96315-11-6 Tetramethyl 5-Formyl-5′-Methyl Bis-(2-Aminophenoxymethylene)-N,N,N’,N’-Tetraacetate molecular structure lightbox
CAS RN: 96315-11-6

Tetramethyl 5-Formyl-5′-Methyl Bis-(2-Aminophenoxymethylene)-N,N,N’,N’-Tetraacetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260122 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS96315-11-6
  • Purity/Analytical Methods: >99.0%
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96315-11-6 / methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-4-methylanilino]acetate

Standard CAS: 96315-11-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96315-11-6
Multi CAS
No
Molecular Formula
C28H34N2O11
Molecular Weight
574.600000
Exact Mass
574.216260
InChI
InChI=1S/C28H34N2O11/c1-19-6-8-21(29(14-25(32)36-2)15-26(33)37-3)23(12-19)40-10-11-41-24-13-20(18-31)7-9-22(24)30(16-27(34)38-4)17-28(35)39-5/h6-9,12-13,18H,10-11,14-17H2,1-5H3
InChIKey
GKTVRWOCZLYLJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
16
H-bond acceptors
13
Molar refractivity
146.49
TPSA
147.21

LogP / Solubility

WLOGP
1.57
MLOGP
1.43
XLogP3
3.3
Consensus LogP
2.1
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.11

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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