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CAS 263764-83-6 Buergerinin G molecular structure lightbox
CAS RN: 263764-83-6

Buergerinin G

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS263764-83-6
  • Purity/Analytical Methods: >99.0%
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263764-83-6 / (1R,5R,7S)-7-methyl-4,8,11-trioxatricyclo[5.3.1.01,5]undecan-3-one

Standard CAS: 263764-83-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263764-83-6
Multi CAS
No
Molecular Formula
C9H12O4
Molecular Weight
184.190000
Exact Mass
184.073559
SMILES
C[C@@]12C[C@@H]3[C@@](O1)(CCO2)CC(=O)O3
InChI
InChI=1S/C9H12O4/c1-8-4-6-9(13-8,2-3-11-8)5-7(10)12-6/h6H,2-5H2,1H3/t6-,8+,9-/m1/s1
InChIKey
QIUBALCNECIHCV-BWVDBABLSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
H-bond acceptors
4
Molar refractivity
41.9
TPSA
44.76

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
0.1
Consensus LogP
0.41
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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