CAS RN: 68609-97-2

Alkyl (C12-C14) glycidyl ether

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14 package records14 with current stock3 grade groups
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Batchno.20250927 100g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
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  • Product code: starshine_CAS68609-97-2
  • Purity/Analytical Methods: >99.0%
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68609-97-2 / 2-(dodecoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane;2-(tridecoxymethyl)oxirane

Standard CAS: 68609-97-2 Multi CAS: Yes

Basic Information

CAS
68609-97-2
Multi CAS
Yes
Molecular Formula
C48H96O6
Molecular Weight
769.300000
Exact Mass
768.720691
InChI
InChI=1S/C17H34O2.C16H32O2.C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-17-16-19-17;1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-16-15-18-16;1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h17H,2-16H2,1H3;16H,2-15H2,1H3;15H,2-14H2,1H3
InChIKey
CKNWGKWITWNVEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Fraction Csp3
1
Rotatable bonds
42
H-bond acceptors
6
Molar refractivity
231.06
TPSA
65.28

LogP / Solubility

WLOGP
14.14
MLOGP
12.51
XLogP3
14.14
Consensus LogP
13.6
Log S (ESOL)
-10.74
Class (ESOL)
Insoluble
Log S (Ali)
-16.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.63

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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