CAS RN: 1788044-09-6
(R)-tert-Butyl 3-(2-hydroxypropan-2-yl)pyrrolidine-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.20250622 | 1g / 5g | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1788044-09-6
- Purity/Analytical Methods: >99.0%
1788044-09-6 / tert-butyl (3R)-3-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
Basic Information
CAS
1788044-09-6
Multi CAS
No
Molecular Formula
C12H23NO3
Molecular Weight
229.320000
Exact Mass
229.167794
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)C(C)(C)O
InChI
InChI=1S/C12H23NO3/c1-11(2,3)16-10(14)13-7-6-9(8-13)12(4,5)15/h9,15H,6-8H2,1-5H3/t9-/m1/s1
InChIKey
HUMJQOGXKFLZIK-SECBINFHSA-N
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
62.21
TPSA
49.77
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
1.4
Consensus LogP
1.73
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1788044-10-9 3-[1-(4-aminobutyl)-1h-1,2,3-triazol-4-yl]aniline trihydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-[1-(4-aminobutyl)-1h-1,2,3-triazol-4-yl]aniline trihydrochloride
- CAS RN: 1788044-10-9
- Product Code: SSC-079604
-
methyl 6-hydrazinylpyridazine-3-carboxylate dihydrochloride
- CAS RN: 1788044-11-0
- Product Code: SSC-079605
-
tert-Butyl 1-azaspiro[3.3]heptan-6-ylcarbamate hydrochloride
- CAS RN: 1788044-12-1
- Product Code: SSC-079606
-
-
tert-Butyl (2-(azetidin-3-yl)propan-2-yl)carbamate hydrochloride
- CAS RN: 1788044-14-3
- Product Code: SSC-079608
-
![CAS 1788044-10-9 3-[1-(4-aminobutyl)-1h-1,2,3-triazol-4-yl]aniline trihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1788044-10-9.gif)
![CAS 1788044-12-1 tert-Butyl 1-azaspiro[3.3]heptan-6-ylcarbamate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1788044-12-1.gif)
