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CAS 135191-75-2 2-((2R,3R,5R,6R,7R,8R)-Cuban-1-yl)acetic acid molecular structure lightbox
CAS RN: 135191-75-2

2-((2R,3R,5R,6R,7R,8R)-Cuban-1-yl)acetic acid

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 100mg Out of stock Inquiry
Batchno.20250207 250mg Out of stock Inquiry
Batchno.20250930 25mg In stock Shanghai Inquiry
Batchno.20250123 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS135191-75-2
  • Purity/Analytical Methods: >99.0%
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135191-75-2 / 2-cuban-1-ylacetic acid

Standard CAS: 135191-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135191-75-2
Multi CAS
No
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
SMILES
C(C(=O)O)C12C3C4C1C5C4C3C25
InChI
InChI=1S/C10H10O2/c11-2(12)1-10-7-4-3-5(7)9(10)6(3)8(4)10/h3-9H,1H2,(H,11,12)
InChIKey
GUEONBQYTUWHRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.12
TPSA
37.3

LogP / Solubility

WLOGP
0.83
MLOGP
0.72
XLogP3
0.5
Consensus LogP
0.68
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.12

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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