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CAS 147266-93-1 (4S)-1-Boc-4-broMo-D-proline Methyl ester molecular structure lightbox
CAS RN: 147266-93-1

(4S)-1-Boc-4-broMo-D-proline Methyl ester

  • Product code: SSC-058021
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 147266-93-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry

147266-93-1 / 1-O-tert-butyl 2-O-methyl (2R,4S)-4-bromopyrrolidine-1,2-dicarboxylate

Standard CAS: 147266-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147266-93-1
Multi CAS
No
Molecular Formula
C11H18BrNO4
Molecular Weight
308.170000
Exact Mass
307.041920
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1C(=O)OC)Br
InChI
InChI=1S/C11H18BrNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKey
TXQUSDPQTQXELO-JGVFFNPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
66.08
TPSA
55.84

LogP / Solubility

WLOGP
1.93
MLOGP
1.71
XLogP3
2
Consensus LogP
1.88
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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