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CAS 1300591-79-0 3-(N-ACETYL-4-HYDROXYPROLYLOXY)PROPYLTRIETHOXYSILANE, 25% in ethanol molecular structure lightbox
CAS RN: 1300591-79-0

3-(N-ACETYL-4-HYDROXYPROLYLOXY)PROPYLTRIETHOXYSILANE, 25% in ethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1300591-79-0
  • Purity/Analytical Methods: >99.0%
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1300591-79-0 / 3-triethoxysilylpropyl (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylate

Standard CAS: 1300591-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1300591-79-0
Multi CAS
No
Molecular Formula
C16H31NO7Si
Molecular Weight
377.500000
Exact Mass
377.186979
SMILES
CCO[Si](CCCOC(=O)[C@@H]1C[C@H](CN1C(=O)C)O)(OCC)OCC
InChI
InChI=1S/C16H31NO7Si/c1-5-22-25(23-6-2,24-7-3)10-8-9-21-16(20)15-11-14(19)12-17(15)13(4)18/h14-15,19H,5-12H2,1-4H3/t14-,15+/m1/s1
InChIKey
LCTLEQOXRWKQJK-CABCVRRESA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.88
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
1
Molar refractivity
92.81
TPSA
94.53

LogP / Solubility

WLOGP
0.95
MLOGP
0.86
XLogP3
0.95
Consensus LogP
0.92
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35

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
3.5

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