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CAS 61278-81-7 1-(DIETHOXYMETHYL)IMIDAZOLE molecular structure lightbox
CAS RN: 61278-81-7

1-(DIETHOXYMETHYL)IMIDAZOLE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS61278-81-7
  • Purity/Analytical Methods: >99.0%
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61278-81-7 / 1-(1-ethoxy-2-methoxyethyl)imidazole

Standard CAS: 61278-81-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61278-81-7
Multi CAS
Yes
Molecular Formula
C8H14N2O2
Molecular Weight
170.210000
Exact Mass
170.105528
InChI
InChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)10-6-5-9-7-10/h5-8H,3-4H2,1-2H3
InChIKey
NNQBAGFIYBBAFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
44.77
TPSA
36.28

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.2
Consensus LogP
0.73
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

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

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