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CAS 111873-46-2 4-iodocubanecarboxylic acid molecular structure lightbox
CAS RN: 111873-46-2

4-iodocubanecarboxylic acid

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 100mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250827 1g Out of stock Inquiry
Batchno.20260504 250mg In stock Tianjin, Chengdu Inquiry
  • Product code: SSC-012349
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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, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 111873-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

111873-46-2 / 4-iodocubane-1-carboxylic acid

8-IODOCUBANE-1-CARBOXYLIC ACID | RefChem:548182 | 852-898-6

Standard CAS: 111873-46-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111873-46-2
Multi CAS
Yes
Molecular Formula
C9H7IO2
Molecular Weight
274.050000
Exact Mass
273.949080
SMILES
C12C3C4C1(C5C2C3(C45)I)C(=O)O
InChI
InChI=1S/C9H7IO2/c10-9-4-1-5(9)3-6(9)2(4)8(1,3)7(11)12/h1-6H,(H,11,12)
InChIKey
UQMHINRLKQGLQV-UHFFFAOYSA-N
Synonyms
8-IODOCUBANE-1-CARBOXYLIC ACID RefChem:548182 852-898-6 4-iodocubane-1-carboxylic acid NSC640892

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.76
TPSA
37.3

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
0.9
Consensus LogP
0.93
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.68

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
3

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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, 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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