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CAS 254881-66-8 (4R)-1-Boc-4-(Boc-amino)-L-proline molecular structure lightbox
CAS RN: 254881-66-8

(4R)-1-Boc-4-(Boc-amino)-L-proline

  • Product code: SSC-121458
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 254881-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

254881-66-8 / (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid

Standard CAS: 254881-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
254881-66-8
Multi CAS
No
Molecular Formula
C15H26N2O6
Molecular Weight
330.380000
Exact Mass
330.179087
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-9-7-10(11(18)19)17(8-9)13(21)23-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,20)(H,18,19)/t9-,10+/m1/s1
InChIKey
NQQSUHFDJACIAC-ZJUUUORDSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
82.14
TPSA
105.17

LogP / Solubility

WLOGP
1.97
MLOGP
1.75
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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