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CAS 19144-86-6 (S)-(-)-N-ACETYL-1-METHYLBENZYLAMINE molecular structure lightbox
CAS RN: 19144-86-6

(S)-(-)-N-ACETYL-1-METHYLBENZYLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS19144-86-6
  • Purity/Analytical Methods: >99.0%
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19144-86-6 / N-[(1S)-1-phenylethyl]acetamide

Standard CAS: 19144-86-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19144-86-6
Multi CAS
No
Molecular Formula
C10H13NO
Molecular Weight
163.220000
Exact Mass
163.099714
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)C
InChI
InChI=1S/C10H13NO/c1-8(11-9(2)12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,11,12)/t8-/m0/s1
InChIKey
PAVMRYVMZLANOQ-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.67
TPSA
29.1

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.4
Consensus LogP
1.64
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.38

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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