CAS RN: 1429122-65-5
TERT-BUTYL 3-HYDROXY-3-(PROP-2-YN-1-YL)AZETIDINE-1-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.20260410 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-054192
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 | Shenzhen | Inquiry |
1429122-65-5 / tert-butyl 3-hydroxy-3-prop-2-ynylazetidine-1-carboxylate
Basic Information
CAS
1429122-65-5
Multi CAS
No
Molecular Formula
C11H17NO3
Molecular Weight
211.260000
Exact Mass
211.120843
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC#C)O
InChI
InChI=1S/C11H17NO3/c1-5-6-11(14)7-12(8-11)9(13)15-10(2,3)4/h1,14H,6-8H2,2-4H3
InChIKey
MFTDZXVZUGUDMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.21
TPSA
49.77
LogP / Solubility
WLOGP
0.99
MLOGP
0.87
XLogP3
0.7
Consensus LogP
0.85
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-3.3
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
1.5
Customers Also Viewed
-
![CAS 1429171-52-7 ethyl 6-chloro-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
ethyl 6-chloro-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
- CAS RN: 1429171-52-7
- Product Code: SSC-054197
-
Mutant IDH1-IN-2
- CAS RN: 1429176-69-1
- Product Code: starshine_CAS1429176-69-1
- Purity/Analytical method: >99.0%
-
IDH-889
- CAS RN: 1429179-07-6
- Product Code: starshine_CAS1429179-07-6
- Purity/Analytical method: >99.0%
-
Mutant IDH1 inhibitor
- CAS RN: 1429180-08-4
- Product Code: starshine_CAS1429180-08-4
- Purity/Analytical method: >99.0%
-
(S)-3-(2-Chloro-6-methyl-4-pyrimidyl)-4-isopropyl-2-oxazolidinone
- CAS RN: 1429180-99-3
- Product Code: SSC-054199
-
(2S)-2-AMINO-2-(4-PHENYLPHENYL)ETHAN-1-OL
- CAS RN: 1429184-14-4
- Product Code: starshine_CAS1429184-14-4
- Purity/Analytical method: >99.0%
![CAS 1429171-52-7 ethyl 6-chloro-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429171-52-7.gif)
.gif)