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CAS 53578-15-7 Pentacyclo[4.2.0.02,5.03,8.04,7]octanecarboxylic acid (7CI,9CI) molecular structure lightbox
CAS RN: 53578-15-7

Pentacyclo[4.2.0.02,5.03,8.04,7]octanecarboxylic acid (7CI,9CI)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250702 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251006 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250202 50mg In stock Shanghai Inquiry
  • Product code: SSC-160927
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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
  • Available purity: >98%
  • 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 53578-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Shanghai Inquiry
0.25g >98% 5 In Stock Hong Kong Inquiry
1g >98% 5 In Stock Beijing Inquiry

53578-15-7 / cubane-1-carboxylic acid

Standard CAS: 53578-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53578-15-7
Multi CAS
No
Molecular Formula
C9H8O2
Molecular Weight
148.160000
Exact Mass
148.052429
InChI
InChI=1S/C9H8O2/c10-8(11)9-5-2-1-3(5)7(9)4(1)6(2)9/h1-7H,(H,10,11)
InChIKey
NVBIDTXRBMYRGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.5
TPSA
37.3

LogP / Solubility

WLOGP
0.44
MLOGP
0.38
XLogP3
0.3
Consensus LogP
0.37
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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