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CAS 67309-95-9 Aspterric acid molecular structure lightbox
CAS RN: 67309-95-9

Aspterric acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260525 1mg In stock Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS67309-95-9
  • Purity/Analytical Methods: >99.0%
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67309-95-9 / (5S,8R,9R)-4-propan-2-ylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboperoxoic acid

Standard CAS: 67309-95-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67309-95-9
Multi CAS
Yes
Molecular Formula
C15H22O4
Molecular Weight
266.330000
Exact Mass
266.151809
InChI
InChI=1S/C15H22O4/c1-9(2)10-5-6-15-7-13(18-8-15)11(14(16)19-17)3-4-12(10)15/h11-13,17H,3-8H2,1-2H3/t11-,12+,13-,15?/m1/s1
InChIKey
AMVWWAIZPPESMM-WORDMNGFSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.33
TPSA
55.76

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
2.2
Consensus LogP
2.57
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6.5

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