![CAS 288314-12-5 (3R,4R)-1-BOC-3,4-BIS[(METHYLSULFONYL) OXY]PYRROLIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/288314-12-5.png)
CAS RN: 288314-12-5
(3R,4R)-1-BOC-3,4-BIS[(METHYLSULFONYL) OXY]PYRROLIDINE
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.20251029 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS288314-12-5
- Purity/Analytical Methods: >99.0%
288314-12-5 / tert-butyl 3,4-bis(methylsulfonyloxy)pyrrolidine-1-carboxylate
Basic Information
CAS
288314-12-5
Multi CAS
Yes
Molecular Formula
C11H21NO8S2
Molecular Weight
359.400000
Exact Mass
359.070859
InChI
InChI=1S/C11H21NO8S2/c1-11(2,3)18-10(13)12-6-8(19-21(4,14)15)9(7-12)20-22(5,16)17/h8-9H,6-7H2,1-5H3
InChIKey
QEFAZXPWLQHESA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.91
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
77.24
TPSA
116.28
LogP / Solubility
WLOGP
-0.07
MLOGP
-0.05
XLogP3
-0.1
Consensus LogP
-0.07
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
Cyclopropanecarbonitrile, 1-(4-pyridinyl)- (9CI)
- CAS RN: 288379-77-1
- Product Code: SSC-130657
-
-
Ethanol, 2-[(2-methoxyethyl)methylamino]- (9CI)
- CAS RN: 288383-69-7
- Product Code: SSC-130662
-
4-Chloro-6-methoxy-7-(3-piperidin-1-yl-propoxy)-quinazoline
- CAS RN: 288383-71-1
- Product Code: starshine_CAS288383-71-1
- Purity/Analytical method: >99.0%
-
Quinazoline, 4-chloro-7-(phenylmethoxy)-
- CAS RN: 288383-86-8
- Product Code: starshine_CAS288383-86-8
- Purity/Analytical method: >99.0%
![CAS 288383-69-7 Ethanol, 2-[(2-methoxyethyl)methylamino]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/288383-69-7.png)
