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CAS 1461-96-7 CIS-CYCLOPENTANE-1,2-DICARBOXYLIC ACID molecular structure lightbox
CAS RN: 1461-96-7

CIS-CYCLOPENTANE-1,2-DICARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250621 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250308 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260326 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20250615 5g In stock Tianjin Inquiry
  • Product code: SSC-057199
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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 1461-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1461-96-7 / cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid

Standard CAS: 1461-96-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1461-96-7
Multi CAS
No
Molecular Formula
C7H10O4
Molecular Weight
158.150000
Exact Mass
158.057909
SMILES
C1C[C@H]([C@H](C1)C(=O)O)C(=O)O
InChI
InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+
InChIKey
ASJCSAKCMTWGAH-SYDPRGILSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.1
TPSA
74.6

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.3
Consensus LogP
0.46
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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