CAS RN: 1261234-02-9
(R)-3-(4-Chloro-benzyloxy)-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.20250922 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1261234-02-9
- Purity/Analytical Methods: >99.0%
1261234-02-9 / (3R)-3-[(4-chlorophenyl)methoxy]pyrrolidine;hydrochloride
Basic Information
CAS
1261234-02-9
Multi CAS
No
Molecular Formula
C11H15Cl2NO
Molecular Weight
248.150000
Exact Mass
247.053070
SMILES
C1CNC[C@@H]1OCC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C11H14ClNO.ClH/c12-10-3-1-9(2-4-10)8-14-11-5-6-13-7-11;/h1-4,11,13H,5-8H2;1H/t11-;/m1./s1
InChIKey
NQSYWPVXGAHGEU-RFVHGSKJSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.76
TPSA
21.26
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.64
Consensus LogP
2.54
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.36
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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