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CAS 1559792-34-5 3-Oxa-bicyclo[4.1.0]heptane-7-carboxylic acid molecular structure lightbox
CAS RN: 1559792-34-5

3-Oxa-bicyclo[4.1.0]heptane-7-carboxylic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250526 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS1559792-34-5
  • Purity/Analytical Methods: >99.0%
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1559792-34-5 / 3-oxabicyclo[4.1.0]heptane-7-carboxylic acid

Standard CAS: 1559792-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1559792-34-5
Multi CAS
No
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
SMILES
C1COCC2C1C2C(=O)O
InChI
InChI=1S/C7H10O3/c8-7(9)6-4-1-2-10-3-5(4)6/h4-6H,1-3H2,(H,8,9)
InChIKey
ASUKEWRBGZOLAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.54
TPSA
46.53

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
Consensus LogP
0.22
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very 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)
-3.34

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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