![CAS 1357353-61-7 Trans-Hexahydro-Pyrrolo[3,2-B]Pyrrole-1,4-Dicarboxylic Acid 1-Benzyl Ester 4-Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357353-61-7.gif)
CAS RN: 1357353-61-7
Trans-Hexahydro-Pyrrolo[3,2-B]Pyrrole-1,4-Dicarboxylic Acid 1-Benzyl Ester 4-Tert-Butyl Ester
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.20250617 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1357353-61-7
- Purity/Analytical Methods: >99.0%
1357353-61-7 / 1-O-benzyl 4-O-tert-butyl (3aR,6aS)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-1,4-dicarboxylate
Basic Information
CAS
1357353-61-7
Multi CAS
No
Molecular Formula
C19H26N2O4
Molecular Weight
346.400000
Exact Mass
346.189257
SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCN2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C19H26N2O4/c1-19(2,3)25-18(23)21-12-10-15-16(21)9-11-20(15)17(22)24-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16+/m0/s1
InChIKey
IJWQJGQRFAOBRV-JKSUJKDBSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
93.08
TPSA
59.08
LogP / Solubility
WLOGP
3.41
MLOGP
3.02
XLogP3
2.9
Consensus LogP
3.11
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1357353-84-4 3-[Fluoro-(3-Fluoro-Phenyl)-Methyl]-Benzoic Acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-[Fluoro-(3-Fluoro-Phenyl)-Methyl]-Benzoic Acid
- CAS RN: 1357353-84-4
- Product Code: starshine_CAS1357353-84-4
- Purity/Analytical method: >99.0%
-
2-(2-Bromo-Ethyl)-[1,2]Oxazinane
- CAS RN: 1357354-11-0
- Product Code: starshine_CAS1357354-11-0
- Purity/Analytical method: >99.0%
-
2,7-Diaza-spiro[4.4]nonane-2,9-dicarboxylic acid 2-tert-butyl ester 9-ethyl ester
- CAS RN: 1357354-49-4
- Product Code: SSC-044324
-
9H-Carbazole, 1-bromo-3,6-bis(1,1-dimethylethyl)-
- CAS RN: 1357359-52-4
- Product Code: SSC-044326
-
ORY-2001
- CAS RN: 1357362-02-7
- Product Code: starshine_CAS1357362-02-7
- Purity/Analytical method: >99.0%
-
AcetaMide, N-(4-fluoro-1H-indol-7-yl)-
- CAS RN: 1357376-42-1
- Product Code: starshine_CAS1357376-42-1
- Purity/Analytical method: >99.0%
![CAS 1357353-84-4 3-[Fluoro-(3-Fluoro-Phenyl)-Methyl]-Benzoic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357353-84-4.gif)
![CAS 1357354-11-0 2-(2-Bromo-Ethyl)-[1,2]Oxazinane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357354-11-0.gif)
![CAS 1357354-49-4 2,7-Diaza-spiro[4.4]nonane-2,9-dicarboxylic acid 2-tert-butyl ester 9-ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357354-49-4.gif)
