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CAS 1788041-68-8 4,4,5,5-tetrachlorospiro[2.2]pentane-1-carboxylic acid molecular structure lightbox
CAS RN: 1788041-68-8

4,4,5,5-tetrachlorospiro[2.2]pentane-1-carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251007 100mg / 500mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-079591
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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: ≥95%
  • 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 1788041-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1788041-68-8 / 1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid

Standard CAS: 1788041-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788041-68-8
Multi CAS
No
Molecular Formula
C6H4Cl4O2
Molecular Weight
249.900000
Exact Mass
249.893590
SMILES
C1C(C12C(C2(Cl)Cl)(Cl)Cl)C(=O)O
InChI
InChI=1S/C6H4Cl4O2/c7-5(8)4(6(5,9)10)1-2(4)3(11)12/h2H,1H2,(H,11,12)
InChIKey
OAXSBVCQAMQFKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.05
TPSA
37.3

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.1
Consensus LogP
2.23
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.51

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
3

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