![CAS 135325-05-2 1,2,3,4,5,6-Hexahydropyrrolo[3,4-c]pyrrole dihydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/135325-05-2.png)
CAS RN: 135325-05-2
1,2,3,4,5,6-Hexahydropyrrolo[3,4-c]pyrrole dihydrobromide
- Product code: SSC-043534
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
135325-05-2 / 1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide
Basic Information
CAS
135325-05-2
Multi CAS
No
Molecular Formula
C6H12Br2N2
Molecular Weight
271.980000
Exact Mass
271.934670
SMILES
C1C2=C(CN1)CNC2.Br.Br
InChI
InChI=1S/C6H10N2.2BrH/c1-5-2-8-4-6(5)3-7-1;;/h7-8H,1-4H2;2*1H
InChIKey
BLTXQAIMJKGVPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.41
TPSA
24.06
LogP / Solubility
WLOGP
0.65
MLOGP
0.58
XLogP3
0.65
Consensus LogP
0.63
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
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)
-3.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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