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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 | Shanghai | Inquiry |
383127-94-4 / 2-[(3,4-dichlorophenyl)methyl]pyrrolidine
Basic Information
CAS
383127-94-4
Multi CAS
Yes
Molecular Formula
C11H13CL2N
Molecular Weight
230.130000
Exact Mass
229.042505
InChI
InChI=1S/C11H13Cl2N/c12-10-4-3-8(7-11(10)13)6-9-2-1-5-14-9/h3-4,7,9,14H,1-2,5-6H2
InChIKey
QDAOUERSYUOTTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.19
TPSA
12.03
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.6
Consensus LogP
3.26
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 383128-51-6 2-(BENZO[D][1,3]DIOXOL-5-YL)PIPERIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/383128-51-6.gif)