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CAS 869-07-8 N1-ISOPROPYL-2-METHYLPROPANAMIDE molecular structure lightbox
CAS RN: 869-07-8

N1-ISOPROPYL-2-METHYLPROPANAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS869-07-8
  • Purity/Analytical Methods: >99.0%
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869-07-8 / 2-methyl-N-propan-2-ylpropanamide

Standard CAS: 869-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
869-07-8
Multi CAS
Yes
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
InChI
InChI=1S/C7H15NO/c1-5(2)7(9)8-6(3)4/h5-6H,1-4H3,(H,8,9)
InChIKey
IGZDXYHMGWRJAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.12
TPSA
29.1

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
1.4
Consensus LogP
1.2
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-2.68

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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