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 |
1270412-03-7 / 2-(4-fluoro-2-methylphenyl)pyrrolidine
Basic Information
CAS
1270412-03-7
Multi CAS
No
Molecular Formula
C11H14FN
Molecular Weight
179.230000
Exact Mass
179.111028
SMILES
CC1=C(C=CC(=C1)F)C2CCCN2
InChI
InChI=1S/C11H14FN/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKey
NYXFCKRWEIIQPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.11
TPSA
12.03
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
![CAS 1270418-02-4 3-[AMINO(CYCLOPROPYL)METHYL]BENZONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1270418-02-4.gif)
