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CAS 268224-29-9 (R)-1-(tert-butoxycarbonyl)-3,3-dimethyl-1,3-azasilolidine-5-carboxylic acid molecular structure lightbox
CAS RN: 268224-29-9

(R)-1-(tert-butoxycarbonyl)-3,3-dimethyl-1,3-azasilolidine-5-carboxylic acid

  • Product code: SSC-125117
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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 268224-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

268224-29-9 / (5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid

Standard CAS: 268224-29-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
268224-29-9
Multi CAS
No
Molecular Formula
C11H21NO4Si
Molecular Weight
259.370000
Exact Mass
259.123985
SMILES
CC(C)(C)OC(=O)N1C[Si](C[C@H]1C(=O)O)(C)C
InChI
InChI=1S/C11H21NO4Si/c1-11(2,3)16-10(15)12-7-17(4,5)6-8(12)9(13)14/h8H,6-7H2,1-5H3,(H,13,14)/t8-/m0/s1
InChIKey
BUYPNQDTQVFCBL-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.65
TPSA
66.84

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.94
Consensus LogP
1.86
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
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)
-2.93

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

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