CAS RN: 60871-86-5
3-(TRIETHOXYSILYLPROPYL)-P-NITROBENZAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260127 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60871-86-5
- Purity/Analytical Methods: >99.0%
60871-86-5 / 4-nitro-N-(3-triethoxysilylpropyl)benzamide
Basic Information
CAS
60871-86-5
Multi CAS
Yes
Molecular Formula
C16H26N2O6Si
Molecular Weight
370.470000
Exact Mass
370.156013
InChI
InChI=1S/C16H26N2O6Si/c1-4-22-25(23-5-2,24-6-3)13-7-12-17-16(19)14-8-10-15(11-9-14)18(20)21/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
InChIKey
NMWDYCNYWCIATE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
1
Molar refractivity
95.49
TPSA
99.93
LogP / Solubility
WLOGP
2.76
MLOGP
2.45
XLogP3
2.76
Consensus LogP
2.66
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02
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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