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CAS 70880-05-6 N-(TRIETHOXYSILYLPROPYL)DANSYLAMIDE molecular structure lightbox
CAS RN: 70880-05-6

N-(TRIETHOXYSILYLPROPYL)DANSYLAMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251230 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS70880-05-6
  • Purity/Analytical Methods: >99.0%
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70880-05-6 / 5-(dimethylamino)-N-(3-triethoxysilylpropyl)naphthalene-1-sulfonamide

Standard CAS: 70880-05-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70880-05-6
Multi CAS
Yes
Molecular Formula
C21H34N2O5SSi
Molecular Weight
454.700000
Exact Mass
454.195770
InChI
InChI=1S/C21H34N2O5SSi/c1-6-26-30(27-7-2,28-8-3)17-11-16-22-29(24,25)21-15-10-12-18-19(21)13-9-14-20(18)23(4)5/h9-10,12-15,22H,6-8,11,16-17H2,1-5H3
InChIKey
AWGTUBDCLHXASR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
10
Fraction Csp3
0.52
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
123.52
TPSA
77.1

LogP / Solubility

WLOGP
3.62
MLOGP
3.22
XLogP3
3.62
Consensus LogP
3.49
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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