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CAS 113306-55-1 1-[2-(Trimethylsilyl)ethoxycarbonyloxy]benzotriazole molecular structure lightbox
CAS RN: 113306-55-1

1-[2-(Trimethylsilyl)ethoxycarbonyloxy]benzotriazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 50mg / 200mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-013466
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 113306-55-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 0 Out of Stock Hong Kong Inquiry

113306-55-1 / benzotriazol-1-yl 2-trimethylsilylethyl carbonate

DTXSID00551926 | 1-(((2-(Trimethylsilyl)ethoxy)carbonyl)oxy)-1H-benzotriazole | 1-({[2-(Trimethylsilyl)ethoxy]carbonyl}oxy)-1H-benzotriazole

Standard CAS: 113306-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113306-55-1
Multi CAS
No
Molecular Formula
C12H17N3O3Si
Molecular Weight
279.370000
Exact Mass
279.103918
SMILES
C[Si](C)(C)CCOC(=O)ON1C2=CC=CC=C2N=N1
InChI
InChI=1S/C12H17N3O3Si/c1-19(2,3)9-8-17-12(16)18-15-11-7-5-4-6-10(11)13-14-15/h4-7H,8-9H2,1-3H3
InChIKey
BJUJSLXVBATBSB-UHFFFAOYSA-N
Synonyms
DTXSID00551926 1-(((2-(Trimethylsilyl)ethoxy)carbonyl)oxy)-1H-benzotriazole 1-({[2-(Trimethylsilyl)ethoxy]carbonyl}oxy)-1H-benzotriazole RefChem:1053608 DTXCID30502709

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
73.61
TPSA
66.24

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.33
Consensus LogP
2.24
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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