CAS RN: 1197231-15-4
2-(2-CHLORO-PHENYL)-PYRROLIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1197231-15-4
- Purity/Analytical Methods: >99.0%
1197231-15-4 / 2-(2-chlorophenyl)pyrrolidine;hydrochloride
2-(2-Chlorophenyl)pyrrolidine hydrochloride | 2-(2-Chloro-phenyl)-pyrrolidine hydrochloride | MFCD08456897
Basic Information
CAS
1197231-15-4
Multi CAS
Yes
Molecular Formula
C10H13Cl2N
Molecular Weight
218.120000
Exact Mass
217.042505
SMILES
C1CC(NC1)C2=CC=CC=C2Cl.Cl
InChI
InChI=1S/C10H12ClN.ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;/h1-2,4-5,10,12H,3,6-7H2;1H
InChIKey
YDPJACFZHCPALP-UHFFFAOYSA-N
Synonyms
2-(2-Chlorophenyl)pyrrolidine hydrochloride
2-(2-Chloro-phenyl)-pyrrolidine hydrochloride
MFCD08456897
2-(2-chlorophenyl)pyrrolidine;hydrochloride
2-(2-Chlorophenyl)pyrrolidine HCl
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.68
TPSA
12.03
LogP / Solubility
WLOGP
3.19
MLOGP
2.81
XLogP3
3.19
Consensus LogP
3.06
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-1.79
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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