CAS RN: 1260845-67-7
(R)-2-(5-Fluoro-2-methoxyphenyl)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.20251012 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR901151
1260845-67-7 / (2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine;hydrochloride
Basic Information
CAS
1260845-67-7
Multi CAS
No
Molecular Formula
C11H15ClFNO
Molecular Weight
231.690000
Exact Mass
231.082620
SMILES
COC1=C(C=C(C=C1)F)[C@H]2CCCN2.Cl
InChI
InChI=1S/C11H14FNO.ClH/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10;/h4-5,7,10,13H,2-3,6H2,1H3;1H/t10-;/m1./s1
InChIKey
NIZBGGSNGPJALP-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.18
TPSA
21.26
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.68
Consensus LogP
2.57
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.23
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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