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CAS 60565-45-9 2-(methylamino)-N-phenylacetamide hydrochloride molecular structure lightbox
CAS RN: 60565-45-9

2-(methylamino)-N-phenylacetamide hydrochloride

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Batchno.20251108 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS60565-45-9
  • Purity/Analytical Methods: >99.0%
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60565-45-9 / 2-(methylamino)-N-phenylacetamide;hydrochloride

Standard CAS: 60565-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60565-45-9
Multi CAS
No
Molecular Formula
C9H13CLN2O
Molecular Weight
200.660000
Exact Mass
200.071641
InChI
InChI=1S/C9H12N2O.ClH/c1-10-7-9(12)11-8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3,(H,11,12);1H
InChIKey
LTTCXNVKPIYQNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.25
TPSA
41.13

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

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