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 | Hong Kong | Inquiry |
753015-96-2 / tert-butyl 3-ethenylpyrrolidine-1-carboxylate
Basic Information
CAS
753015-96-2
Multi CAS
No
Molecular Formula
C11H19NO2
Molecular Weight
197.270000
Exact Mass
197.141579
InChI
InChI=1S/C11H19NO2/c1-5-9-6-7-12(8-9)10(13)14-11(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKey
AIWBHQLFAKSRML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.11
TPSA
29.54
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.1
Consensus LogP
2.22
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
Carbamic acid, [1-(2-hydroxyethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 753023-57-3
- Product Code: SSC-184772
-
Carbamic acid, [1-(2-aminoethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 753023-60-8
- Product Code: SSC-184773
-
-
4-Azepan-1-yl-butyric acid
- CAS RN: 753391-71-8
- Product Code: starshine_CAS753391-71-8
- Purity/Analytical method: >99.0%
![CAS 753023-57-3 Carbamic acid, [1-(2-hydroxyethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/753023-57-3.gif)
![CAS 753023-60-8 Carbamic acid, [1-(2-aminoethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/753023-60-8.gif)
