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CAS 129321-57-9 (R)-1-(2-Methyl-1,3-Dioxolan-2-Yl)-N-(1-Phenylethyl)Cyclopropanecarboxamide molecular structure lightbox
CAS RN: 129321-57-9

(R)-1-(2-Methyl-1,3-Dioxolan-2-Yl)-N-(1-Phenylethyl)Cyclopropanecarboxamide

  • Product code: SSC-036395
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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: 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 129321-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

129321-57-9 / 1-(2-methyl-1,3-dioxolan-2-yl)-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide

Standard CAS: 129321-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129321-57-9
Multi CAS
No
Molecular Formula
C16H21NO3
Molecular Weight
275.340000
Exact Mass
275.152144
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)C2(CC2)C3(OCCO3)C
InChI
InChI=1S/C16H21NO3/c1-12(13-6-4-3-5-7-13)17-14(18)16(8-9-16)15(2)19-10-11-20-15/h3-7,12H,8-11H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKey
YASHZCRCMAGIJB-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.98
TPSA
47.56

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
1.5
Consensus LogP
2.01
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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