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CAS 73256-82-3 Isobicyclogermacrenal molecular structure lightbox
CAS RN: 73256-82-3

Isobicyclogermacrenal

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Batchno.20260522 100mg Out of stock Inquiry
  • Product code: starshine_CAS73256-82-3
  • Purity/Analytical Methods: >99.0%
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73256-82-3 / (1R,2E,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde

Standard CAS: 73256-82-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73256-82-3
Multi CAS
Yes
Molecular Formula
C15H22O
Molecular Weight
218.330000
Exact Mass
218.167065
InChI
InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)9-14-13(8-7-11)15(14,2)3/h5,9-10,13-14H,4,6-8H2,1-3H3/b11-5+,12-9+/t13-,14+/m0/s1
InChIKey
BLCUVJCHWZPQCX-UMDNKZHUSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
67.13
TPSA
17.07

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
3.4
Consensus LogP
3.58
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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