CAS RN: 65542-25-8

N-{4-[(methylamino)methyl]phenyl}acetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250813 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS65542-25-8
  • Purity/Analytical Methods: >99.0%
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65542-25-8 / N-[4-(methylaminomethyl)phenyl]acetamide

Standard CAS: 65542-25-8 Multi CAS: No

Basic Information

CAS
65542-25-8
Multi CAS
No
Molecular Formula
C10H14N2O
Molecular Weight
178.230000
Exact Mass
178.110613
InChI
InChI=1S/C10H14N2O/c1-8(13)12-10-5-3-9(4-6-10)7-11-2/h3-6,11H,7H2,1-2H3,(H,12,13)
InChIKey
IIULHCCNFWQUGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.51
TPSA
41.13

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
0.7
Consensus LogP
1.09
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.84

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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