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CAS 181934-30-5 1-[(Triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one molecular structure lightbox
CAS RN: 181934-30-5

1-[(Triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251210 10g In stock Shanghai Inquiry
Batchno.20260622 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250526 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260507 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260319 25g In stock Shanghai Inquiry
Batchno.20250702 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-082723
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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 181934-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

181934-30-5 / 1-[2-tri(propan-2-yl)silylethynyl]-1lambda3,2-benziodoxol-3-one

Standard CAS: 181934-30-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
181934-30-5
Multi CAS
No
Molecular Formula
C18H25IO2Si
Molecular Weight
428.400000
Exact Mass
428.066850
SMILES
CC(C)[Si](C#CI1C2=CC=CC=C2C(=O)O1)(C(C)C)C(C)C
InChI
InChI=1S/C18H25IO2Si/c1-13(2)22(14(3)4,15(5)6)12-11-19-17-10-8-7-9-16(17)18(20)21-19/h7-10,13-15H,1-6H3
InChIKey
NTHGHMCOPNSZIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
103.4
TPSA
26.3

LogP / Solubility

WLOGP
5.63
MLOGP
4.98
XLogP3
5.63
Consensus LogP
5.41
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.34

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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