![CAS 1932123-56-2 tert-butyl (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1932123-56-2.gif)
CAS RN: 1932123-56-2
tert-butyl (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
- Product code: SSC-090402
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
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1932123-56-2 / tert-butyl (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
Basic Information
CAS
1932123-56-2
Multi CAS
No
Molecular Formula
C11H19NO3
Molecular Weight
213.270000
Exact Mass
213.136493
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@H]2O
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-9,13H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKey
HDPGSWMTDGGUEB-IWSPIJDZSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.46
TPSA
49.77
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
(2S,3R)-4-Boc-2-MethylMorpholine-3-carboxylic acid
- CAS RN: 1932139-13-3
- Product Code: SSC-090410
-
Carbamic acid, N-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methyl]-, 1,1-dimethylethyl ester
- CAS RN: 1932141-66-6
- Product Code: SSC-090416
-
tert-butyl ((3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)carbamate
- CAS RN: 1932145-07-7
- Product Code: SSC-090420
-
(3R,4S)-1-(tert-butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid
- CAS RN: 1932149-31-9
- Product Code: SSC-090422
-
tert-butyl (2R)-2-cyanoazetidine-1-carboxylate
- CAS RN: 1932159-94-8
- Product Code: SSC-090428
-
tert-butyl (3S,4R)-3-amino-4-methylpyrrolidine-1-carboxylate
- CAS RN: 1932160-29-6
- Product Code: SSC-090429
![CAS 1932141-66-6 Carbamic acid, N-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1932141-66-6.gif)
