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CAS 137376-38-6 (3-TRIETHOXYSILYLPROPYL)-T-BUTYLCARBAMATE molecular structure lightbox
CAS RN: 137376-38-6

(3-TRIETHOXYSILYLPROPYL)-T-BUTYLCARBAMATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250822 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong 5-7 business days Inquiry
  • Product code: starshine_CAS137376-38-6
  • Purity/Analytical Methods: >99.0%
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137376-38-6 / tert-butyl N-(3-triethoxysilylpropyl)carbamate

Standard CAS: 137376-38-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137376-38-6
Multi CAS
No
Molecular Formula
C14H31NO5Si
Molecular Weight
321.480000
Exact Mass
321.197150
SMILES
CCO[Si](CCCNC(=O)OC(C)(C)C)(OCC)OCC
InChI
InChI=1S/C14H31NO5Si/c1-7-17-21(18-8-2,19-9-3)12-10-11-15-13(16)20-14(4,5)6/h7-12H2,1-6H3,(H,15,16)
InChIKey
SGGGQXKYTPWHOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.93
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
1
Molar refractivity
84.29
TPSA
66.02

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.95
Consensus LogP
2.84
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

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

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