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CAS 1217835-98-7 (R)-1-Cbz-3-pyrrolidinecarboxaMide molecular structure lightbox
CAS RN: 1217835-98-7

(R)-1-Cbz-3-pyrrolidinecarboxaMide

  • Product code: SSC-024547
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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 1217835-98-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1217835-98-7 / benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate

Standard CAS: 1217835-98-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217835-98-7
Multi CAS
No
Molecular Formula
C13H16N2O3
Molecular Weight
248.280000
Exact Mass
248.116092
SMILES
C1CN(C[C@@H]1C(=O)N)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H16N2O3/c14-12(16)11-6-7-15(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,14,16)/t11-/m1/s1
InChIKey
RFMDNYSGEQPCAA-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.5
TPSA
72.63

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
0.6
Consensus LogP
0.91
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-3.43

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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