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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 | Beijing | Inquiry |
383127-16-0 / 2-(4-tert-butylphenyl)pyrrolidine
Basic Information
CAS
383127-16-0
Multi CAS
No
Molecular Formula
C14H21N
Molecular Weight
203.320000
Exact Mass
203.167400
InChI
InChI=1S/C14H21N/c1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13/h6-9,13,15H,4-5,10H2,1-3H3
InChIKey
JFBLTILAHRPXNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.12
TPSA
12.03
LogP / Solubility
WLOGP
3.41
MLOGP
3
XLogP3
3.5
Consensus LogP
3.3
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly 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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
![CAS 383127-27-3 2-[(2-methylphenyl)methyl]pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/383127-27-3.gif)
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![CAS 383127-33-1 2-[1,1′-BIPHENYL]-2-YL-PYRROLIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/383127-33-1.gif)