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CAS 81968-62-9 4(15),5,10(14)-Germacratrien-1-ol molecular structure lightbox
CAS RN: 81968-62-9

4(15),5,10(14)-Germacratrien-1-ol

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Batchno.20250617 1mg Out of stock Inquiry
  • Product code: starshine_CAS81968-62-9
  • Purity/Analytical Methods: >99.0%
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81968-62-9 / (1R,5E,7S)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol

Standard CAS: 81968-62-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81968-62-9
Multi CAS
Yes
Molecular Formula
C15H24O
Molecular Weight
220.350000
Exact Mass
220.182715
InChI
InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,8,11,14-16H,3-4,6-7,9-10H2,1-2H3/b8-5-/t14-,15?/m0/s1
InChIKey
OSSWBZXPRYZGRO-GNOUIQMSSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.22
TPSA
20.23

LogP / Solubility

WLOGP
3.86
MLOGP
3.4
XLogP3
3.7
Consensus LogP
3.65
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
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)
-1.32

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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