![CAS 1087784-78-8 tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1087784-78-8.gif)
CAS RN: 1087784-78-8
tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250310 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-010040
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: >97%
- Inventory rows with stock: 2
- 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.
1087784-78-8 / tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate | MFCD11100968 | 3-Boc-1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane
Basic Information
CAS
1087784-78-8
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC(C)(C)OC(=O)N1CC2CC(C2)(C1)CO
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-6-9-4-12(5-9,7-13)8-14/h9,14H,4-8H2,1-3H3
InChIKey
POCJKYARJWWJGO-UHFFFAOYSA-N
Synonyms
tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
MFCD11100968
3-Boc-1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane
SCHEMBL25369883
AKOS026717626
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.05
TPSA
49.77
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1.1
Consensus LogP
1.39
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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