![CAS 1638767-79-9 tert-Butyl((3-formylbicyclo[1.1.1]pentan-1-yl)methyl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638767-79-9.gif)
CAS RN: 1638767-79-9
tert-Butyl((3-formylbicyclo[1.1.1]pentan-1-yl)methyl)carbamate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250908 | 1g | Out of stock | Inquiry |
- Product code: SSC-071420
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1638767-79-9 / tert-butyl N-[(3-formyl-1-bicyclo[1.1.1]pentanyl)methyl]carbamate
Basic Information
CAS
1638767-79-9
Multi CAS
No
Molecular Formula
C12H19NO3
Molecular Weight
225.280000
Exact Mass
225.136493
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(C2)C=O
InChI
InChI=1S/C12H19NO3/c1-10(2,3)16-9(15)13-7-11-4-12(5-11,6-11)8-14/h8H,4-7H2,1-3H3,(H,13,15)
InChIKey
IZFLQRGYSHPHTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.02
TPSA
55.4
LogP / Solubility
WLOGP
1.88
MLOGP
1.66
XLogP3
1
Consensus LogP
1.51
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
5-azaspiro[2.3]hexane hemioxalate
- CAS RN: 1638767-88-0
- Product Code: starshine_CAS1638767-88-0
- Purity/Analytical method: >99.0%
-
-
5-Methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
- CAS RN: 1638767-97-1
- Product Code: SSC-071425
-
2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
- CAS RN: 1638767-99-3
- Product Code: starshine_CAS1638767-99-3
- Purity/Analytical method: >99.0%
-
Methyl3-(((tert-butoxycarbonyl)amino)methyl)bicyclo[1.1.1]pentane-1-carboxylate
- CAS RN: 1638768-01-0
- Product Code: SSC-071426
![CAS 1638767-88-0 5-azaspiro[2.3]hexane hemioxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638767-88-0.gif)
![CAS 1638767-93-7 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638767-93-7.gif)
![CAS 1638767-97-1 5-Methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22645429.gif)
![CAS 1638767-99-3 2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638767-99-3.gif)
![CAS 1638768-01-0 Methyl3-(((tert-butoxycarbonyl)amino)methyl)bicyclo[1.1.1]pentane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638768-01-0.gif)