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CAS 24198-95-6 JUVENILE HORMONE III molecular structure lightbox
CAS RN: 24198-95-6

JUVENILE HORMONE III

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3 package records3 with current stock2 grade groups
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Batchno.20250528 1ml In stock Shanghai Inquiry
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Batchno.20260220 10mg In stock Shanghai Inquiry
Batchno.20260410 5mg In stock Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS24198-95-6
  • Purity/Analytical Methods: >99.0%
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24198-95-6 / methyl 9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate

Standard CAS: 24198-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24198-95-6
Multi CAS
No
Molecular Formula
C16H26O3
Molecular Weight
266.380000
Exact Mass
266.188195
SMILES
CC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C)C
InChI
InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+
InChIKey
QVJMXSGZTCGLHZ-ZPLWXOMKSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.69
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
76.95
TPSA
38.83

LogP / Solubility

WLOGP
3.79
MLOGP
3.34
XLogP3
4
Consensus LogP
3.71
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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