![CAS 2170371-89-6 tert-butyl (3-cyanobicyclo[1.1.1]pentan-1-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170371-89-6.png)
CAS RN: 2170371-89-6
tert-butyl (3-cyanobicyclo[1.1.1]pentan-1-yl)carbamate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251105 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-104483
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: 0.1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2170371-89-6 / tert-butyl N-(3-cyano-1-bicyclo[1.1.1]pentanyl)carbamate
Basic Information
CAS
2170371-89-6
Multi CAS
No
Molecular Formula
C11H16N2O2
Molecular Weight
208.260000
Exact Mass
208.121178
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)C#N
InChI
InChI=1S/C11H16N2O2/c1-9(2,3)15-8(14)13-11-4-10(5-11,6-11)7-12/h4-6H2,1-3H3,(H,13,14)
InChIKey
KSXWAPXMULDENR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54
TPSA
62.12
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1
Consensus LogP
1.56
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 2170371-90-9 3-aminobicyclo[1.1.1]pentane-1-carbonitrile hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-aminobicyclo[1.1.1]pentane-1-carbonitrile hydrochloride
- CAS RN: 2170371-90-9
- Product Code: SSC-104484
-
1-(iodomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanol
- CAS RN: 2170372-21-9
- Product Code: SSC-104489
-
2-Oxabicyclo[2.1.1]hexane-1,4-dimethanol, 1-acetate
- CAS RN: 2170372-27-5
- Product Code: SSC-104491
-
benzyl N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate
- CAS RN: 2170372-30-0
- Product Code: starshine_CAS2170372-30-0
- Purity/Analytical method: >99.0%
-
Glabralide B
- CAS RN: 2170388-84-6
- Product Code: starshine_CAS2170388-84-6
- Purity/Analytical method: >99.0%
-
Myricetin 3,7,3′-trimethyl ether 5′-O-glucoside
- CAS RN: 2170444-56-9
- Product Code: starshine_CAS2170444-56-9
- Purity/Analytical method: >99.0%
![CAS 2170371-90-9 3-aminobicyclo[1.1.1]pentane-1-carbonitrile hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170371-90-9.png)
![CAS 2170372-21-9 1-(iodomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170372-21-9.png)
![CAS 2170372-27-5 2-Oxabicyclo[2.1.1]hexane-1,4-dimethanol, 1-acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170372-27-5.png)
![CAS 2170372-30-0 benzyl N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170372-30-0.png)
