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CAS 204274-29-3 (2S)-Methyl 1-(1-phenylethyl)azetidine-2-carboxylate molecular structure lightbox
CAS RN: 204274-29-3

(2S)-Methyl 1-(1-phenylethyl)azetidine-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-096092
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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
  • 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 204274-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

204274-29-3 / methyl (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carboxylate

Standard CAS: 204274-29-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204274-29-3
Multi CAS
No
Molecular Formula
C13H17NO2
Molecular Weight
219.280000
Exact Mass
219.125929
SMILES
C[C@@H](C1=CC=CC=C1)N2CC[C@H]2C(=O)OC
InChI
InChI=1S/C13H17NO2/c1-10(11-6-4-3-5-7-11)14-9-8-12(14)13(15)16-2/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m0/s1
InChIKey
FMYIXIBSKQXTLX-JQWIXIFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.98
TPSA
29.54

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
2.2
Consensus LogP
1.98
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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
2.5

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