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CAS 22263-68-9 Ethyl (S)-2-(1-PhenylethylaMino)acetate molecular structure lightbox
CAS RN: 22263-68-9

Ethyl (S)-2-(1-PhenylethylaMino)acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-107308
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 22263-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

22263-68-9 / ethyl 2-[[(1S)-1-phenylethyl]amino]acetate

Standard CAS: 22263-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22263-68-9
Multi CAS
No
Molecular Formula
C12H17NO2
Molecular Weight
207.270000
Exact Mass
207.125929
SMILES
CCOC(=O)CN[C@@H](C)C1=CC=CC=C1
InChI
InChI=1S/C12H17NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-/m0/s1
InChIKey
NFYBPTIJJCODFR-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.49
TPSA
38.33

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
2
Consensus LogP
1.86
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

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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