CAS 14228-73-0 1,4-Bis((2,3-epoxypropoxy)methyl)cyclohexane molecular structure

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CAS RN: 14228-73-0

1,4-Bis((2,3-epoxypropoxy)methyl)cyclohexane

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4 package records4 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251027	100g	In stock	Shanghai, Shenzhen	Inquiry
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Batchno.20260514	25g	In stock	Shanghai, Shenzhen	Inquiry
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Product code: starshine_CAS14228-73-0
Purity/Analytical Methods: >99.0%

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14228-73-0 / 2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane

Standard CAS: 14228-73-0 Multi CAS: No

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

14228-73-0

Multi CAS

Molecular Formula

C14H24O4

Molecular Weight

256.340000

Exact Mass

256.167459

SMILES

C1CC(CCC1COCC2CO2)COCC3CO3

InChI

InChI=1S/C14H24O4/c1-2-12(6-16-8-14-10-18-14)4-3-11(1)5-15-7-13-9-17-13/h11-14H,1-10H2

InChIKey

VQMQXWYQIIUJIT-UHFFFAOYSA-N

Physical Properties

Physical Description

Liquid

State

Liquid

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

Rotatable bonds

H-bond acceptors

Molar refractivity

66.57

TPSA

43.52

LogP / Solubility

WLOGP

1.62

MLOGP

1.44

XLogP3

Consensus LogP

1.35

Log S (ESOL)

-1.92

Class (ESOL)

Soluble

Log S (Ali)

-2.83

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3.63

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.13

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H302 (21%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (49.5%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (99.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (28.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H412 (43.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501