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CAS 1003013-77-1 3-(iodomethyl)oxetane molecular structure lightbox
CAS RN: 1003013-77-1

3-(iodomethyl)oxetane

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 100mg In stock Shanghai Inquiry
Batchno.20250807 1g Out of stock Inquiry
Batchno.20250206 250mg In stock Shanghai Inquiry
Batchno.20251029 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-000788
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 0.25g, 5g, 25g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1003013-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
1g >95% 3 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Beijing Inquiry
25g >95% 2 In Stock Shanghai Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

1003013-77-1 / 3-(iodomethyl)oxetane

3-(iodomethyl)oxetane | DTXSID90614110 | RefChem:92664

Standard CAS: 1003013-77-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1003013-77-1
Multi CAS
No
Molecular Formula
C4H7IO
Molecular Weight
198.000000
Exact Mass
197.954160
SMILES
C1C(CO1)CI
InChI
InChI=1S/C4H7IO/c5-1-4-2-6-3-4/h4H,1-3H2
InChIKey
IVGHNOLTTATVRF-UHFFFAOYSA-N
Synonyms
3-(iodomethyl)oxetane DTXSID90614110 RefChem:92664 DTXCID10564865 852-745-3

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.2
TPSA
9.23

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1.2
Consensus LogP
1.07
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-3.17

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
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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