CAS RN: 1381928-56-8
(2R)-2-(6-CHLORO-2-FLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251110 | 250mg | In stock | Shanghai | Inquiry |
- Product code: SSC-048132
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1381928-56-8 / (2R)-2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
Basic Information
CAS
1381928-56-8
Multi CAS
No
Molecular Formula
C10H12Cl2FN
Molecular Weight
236.110000
Exact Mass
235.033083
SMILES
C1C[C@@H](NC1)C2=C(C=CC=C2Cl)F.Cl
InChI
InChI=1S/C10H11ClFN.ClH/c11-7-3-1-4-8(12)10(7)9-5-2-6-13-9;/h1,3-4,9,13H,2,5-6H2;1H/t9-;/m1./s1
InChIKey
VRRMWHPZTXGTTO-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.64
TPSA
12.03
LogP / Solubility
WLOGP
3.33
MLOGP
2.93
XLogP3
3.33
Consensus LogP
3.2
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-1.8
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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