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CAS 112823-30-0 3-(iodomethyl)-3-methyloxetane molecular structure lightbox
CAS RN: 112823-30-0

3-(iodomethyl)-3-methyloxetane

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250802 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260430 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250719 25g In stock Shanghai Inquiry
Batchno.20251009 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-013131
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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: 5g
  • Available purity: >97%
  • 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 112823-30-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

112823-30-0 / 3-(iodomethyl)-3-methyloxetane

3-(iodomethyl)-3-methyloxetane | DTXSID90549155 | RefChem:275624

Standard CAS: 112823-30-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112823-30-0
Multi CAS
No
Molecular Formula
C5H9IO
Molecular Weight
212.030000
Exact Mass
211.969810
SMILES
CC1(COC1)CI
InChI
InChI=1S/C5H9IO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
InChIKey
UAYNHSVKPDQASH-UHFFFAOYSA-N
Synonyms
3-(iodomethyl)-3-methyloxetane DTXSID90549155 RefChem:275624 DTXCID40499939 842-180-0

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.81
TPSA
9.23

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, and P501

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