![CAS 1212822-72-4 Octahydro-cyclopenta[c]pyrrol-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1212822-72-4.gif)
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1212822-72-4 / 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
octahydrocyclopenta[c]pyrrol-4-ol | Octahydro-cyclopenta[c]pyrrol-4-ol | MFCD19216600
Basic Information
CAS
1212822-72-4
Multi CAS
No
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
SMILES
C1CC(C2C1CNC2)O
InChI
InChI=1S/C7H13NO/c9-7-2-1-5-3-8-4-6(5)7/h5-9H,1-4H2
InChIKey
ZOBDURRZNGBULZ-UHFFFAOYSA-N
Synonyms
octahydrocyclopenta[c]pyrrol-4-ol
Octahydro-cyclopenta[c]pyrrol-4-ol
MFCD19216600
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
(3aR,4R,6aS)-rel-Octahydro-cyclopenta[c]pyrrol-4-ol
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.09
TPSA
32.26
LogP / Solubility
WLOGP
-0.02
MLOGP
-0.03
Consensus LogP
-0.02
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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