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CAS 104275-58-3 N-(3-TRIETHOXYSILYLPROPYL)GLUCONAMIDE molecular structure lightbox
CAS RN: 104275-58-3

N-(3-TRIETHOXYSILYLPROPYL)GLUCONAMIDE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 25g / 100g / 250g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS104275-58-3
  • Purity/Analytical Methods: >99.0%
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104275-58-3 / (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide

C15H33NO9Si | 2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide | SCHEMBL18198080

Standard CAS: 104275-58-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104275-58-3
Multi CAS
Yes
Molecular Formula
C15H33NO9Si
Molecular Weight
399.510000
Exact Mass
399.192458
SMILES
CCO[Si](CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)(OCC)OCC
InChI
InChI=1S/C15H33NO9Si/c1-4-23-26(24-5-2,25-6-3)9-7-8-16-15(22)14(21)13(20)12(19)11(18)10-17/h11-14,17-21H,4-10H2,1-3H3,(H,16,22)/t11-,12-,13+,14-/m1/s1
InChIKey
RGFDUEXNZLUZGH-YIYPIFLZSA-N
Synonyms
C15H33NO9Si 2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide SCHEMBL18198080

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.93
Rotatable bonds
15
H-bond acceptors
9
H-bond donors
6
Molar refractivity
94.18
TPSA
157.94

LogP / Solubility

WLOGP
-2.02
MLOGP
-1.76
XLogP3
-2.02
Consensus LogP
-1.93
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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