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CAS 122676-92-0 (cis)2-iodocyclopropanecarboxylic acid molecular structure lightbox
CAS RN: 122676-92-0

(cis)2-iodocyclopropanecarboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250316 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-025770
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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: 0.25g, 1g
  • 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 122676-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

122676-92-0 / cis-(1S,2S)-2-iodocyclopropane-1-carboxylic acid

Standard CAS: 122676-92-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122676-92-0
Multi CAS
No
Molecular Formula
C4H5IO2
Molecular Weight
211.990000
Exact Mass
211.933430
SMILES
C1[C@H]([C@H]1I)C(=O)O
InChI
InChI=1S/C4H5IO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3+/m1/s1
InChIKey
JLDDIEQQVGNSGM-GBXIJSLDSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.55
TPSA
37.3

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
0.9
Consensus LogP
0.86
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.38

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

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