CAS RN: 15423-57-1

germacreneB,1,5-dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene

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Batchno.20250303 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS15423-57-1
  • Purity/Analytical Methods: >99.0%
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15423-57-1 / (1E,5E)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene

Standard CAS: 15423-57-1 Multi CAS: No

Basic Information

CAS
15423-57-1
Multi CAS
No
Molecular Formula
C15H24
Molecular Weight
204.350000
Exact Mass
204.187801
SMILES
C/C/1=C\CC/C(=C/CC(=C(C)C)CC1)/C
InChI
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+
InChIKey
GXEGJTGWYVZSNR-SJRHNVSNSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.6
Molar refractivity
68.97
TPSA
0.0000

LogP / Solubility

WLOGP
5.18
MLOGP
4.56
XLogP3
4.1
Consensus LogP
4.61
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-0.29

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
3

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