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 |
298690-87-6 / 2-(2,4-dimethylphenyl)pyrrolidine
Basic Information
CAS
298690-87-6
Multi CAS
Yes
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
InChI
InChI=1S/C12H17N/c1-9-5-6-11(10(2)8-9)12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKey
UOPALANXPTYMFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.89
TPSA
12.03
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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(4S,4’S)-2,2′-Cyclobutylidenebis[4,5-dihydro-4-tert-butyloxazole]
- CAS RN: 298693-02-4
- Product Code: SSC-133111
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“(4S,4’S)-2,2′-Cyclopentylidenebis[4-tert-butyl-4,5-dihydrooxazole],99%e.e.”
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“(4S,4’S)-2,2′-Cyclohexylidenebis[4-tert-butyl-4,5-dihydrooxazole],99%e.e.”
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![CAS 298693-02-4 (4S,4’S)-2,2′-Cyclobutylidenebis[4,5-dihydro-4-tert-butyloxazole] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/298693-02-4.png)
![CAS 298693-03-5 “(4S,4’S)-2,2′-Cyclopentylidenebis[4-tert-butyl-4,5-dihydrooxazole],99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/298693-03-5.png)
![CAS 298693-04-6 “(4S,4’S)-2,2′-Cyclohexylidenebis[4-tert-butyl-4,5-dihydrooxazole],99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/298693-04-6.png)