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CAS 6704-35-4 1-MORPHOLIN-4-YLACETONE molecular structure lightbox
CAS RN: 6704-35-4

1-MORPHOLIN-4-YLACETONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS6704-35-4
  • Purity/Analytical Methods: >99.0%
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6704-35-4 / 1-morpholin-4-ylpropan-2-one

Standard CAS: 6704-35-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6704-35-4
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
InChI
InChI=1S/C7H13NO2/c1-7(9)6-8-2-4-10-5-3-8/h2-6H2,1H3
InChIKey
LOBSVGRXQAHJDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
37.94
TPSA
29.54

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.09
XLogP3
-0.4
Consensus LogP
-0.19
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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