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CAS 1421868-51-0 methyl (2R,5S)-5-phenylpyrrolidine-2-carboxylate(WXC08845) molecular structure lightbox
CAS RN: 1421868-51-0

methyl (2R,5S)-5-phenylpyrrolidine-2-carboxylate(WXC08845)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260424 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-052956
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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 1421868-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1421868-51-0 / methyl (2R,5S)-5-phenylpyrrolidine-2-carboxylate

Standard CAS: 1421868-51-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1421868-51-0
Multi CAS
No
Molecular Formula
C12H15NO2
Molecular Weight
205.250000
Exact Mass
205.110279
SMILES
COC(=O)[C@H]1CC[C@H](N1)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c1-15-12(14)11-8-7-10(13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m0/s1
InChIKey
PLTYXWQEMLQCPO-WDEREUQCSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.36
TPSA
38.33

LogP / Solubility

WLOGP
1.65
MLOGP
1.46
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.8

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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