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CAS 2071192-55-5 OLGNZLKFNXJLGC-UHFFFAOYSA-N molecular structure lightbox
CAS RN: 2071192-55-5

OLGNZLKFNXJLGC-UHFFFAOYSA-N

  • Product code: SSC-097530
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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: 3
  • 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 2071192-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Shanghai Inquiry

2071192-55-5 / tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate

Standard CAS: 2071192-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2071192-55-5
Multi CAS
No
Molecular Formula
C15H28BNO4
Molecular Weight
297.200000
Exact Mass
297.211139
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCCN2C(=O)OC(C)(C)C
InChI
InChI=1S/C15H28BNO4/c1-13(2,3)19-12(18)17-10-8-9-11(17)16-20-14(4,5)15(6,7)21-16/h11H,8-10H2,1-7H3
InChIKey
OLGNZLKFNXJLGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
82.04
TPSA
48

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
3.02
Consensus LogP
2.9
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly 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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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