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CAS 221352-74-5 Boc-(2S,4S)-4-amino-1-Fmoc-pyrrolidine-2-carboxylic Acid molecular structure lightbox
CAS RN: 221352-74-5

Boc-(2S,4S)-4-amino-1-Fmoc-pyrrolidine-2-carboxylic Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250428 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-106527
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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: ≥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 221352-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

221352-74-5 / (2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid

Standard CAS: 221352-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221352-74-5
Multi CAS
No
Molecular Formula
C25H28N2O6
Molecular Weight
452.500000
Exact Mass
452.194737
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C25H28N2O6/c1-25(2,3)33-23(30)26-15-12-21(22(28)29)27(13-15)24(31)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t15-,21-/m0/s1
InChIKey
FJEXPICLVWOJSE-BTYIYWSLSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
120.97
TPSA
105.17

LogP / Solubility

WLOGP
3.99
MLOGP
3.54
XLogP3
3.8
Consensus LogP
3.78
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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