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CAS 2226371-98-6 (S)-N-[1-(Dimethylamino)-3-phenyl-2-propyl]acetamide molecular structure lightbox
CAS RN: 2226371-98-6

(S)-N-[1-(Dimethylamino)-3-phenyl-2-propyl]acetamide

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251005 100mg In stock Shanghai, Hebei Inquiry
Batchno.20251028 1g In stock Shanghai, Chongqing Inquiry
Batchno.20260228 250mg In stock Shanghai Inquiry
  • Product code: SSC-107318
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2226371-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2226371-98-6 / N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]acetamide

Standard CAS: 2226371-98-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2226371-98-6
Multi CAS
No
Molecular Formula
C13H20N2O
Molecular Weight
220.310000
Exact Mass
220.157563
SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)CN(C)C
InChI
InChI=1S/C13H20N2O/c1-11(16)14-13(10-15(2)3)9-12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3,(H,14,16)/t13-/m0/s1
InChIKey
PXPSPBKAWKBCMJ-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.3
TPSA
32.34

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1.6
Consensus LogP
1.35
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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