![CAS 86732-28-7 2-Methyl-octahydro-pyrrolo[3,4-c]pyrrole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB31456766.gif)
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 5g, 0.25g, 10g
- Available purity: >97%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | >97% | 2 In Stock | Beijing | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 10g | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
86732-28-7 / (3aR,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
Basic Information
CAS
86732-28-7
Multi CAS
Yes
Molecular Formula
C7H14N2
Molecular Weight
126.200000
Exact Mass
126.115698
InChI
InChI=1S/C7H14N2/c1-9-4-6-2-8-3-7(6)5-9/h6-8H,2-5H2,1H3
InChIKey
YQURLNGUWNDBIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.35
TPSA
15.27
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.21
XLogP3
-0.1
Consensus LogP
-0.18
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very 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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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