CAS RN: 1289585-49-4
(R)-3-(4-Methyl-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.20251123 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1289585-49-4
- Purity/Analytical Methods: >99.0%
1289585-49-4 / (3R)-3-[(4-methylphenyl)methoxy]pyrrolidine;hydrochloride
Basic Information
CAS
1289585-49-4
Multi CAS
No
Molecular Formula
C12H18ClNO
Molecular Weight
227.730000
Exact Mass
227.107692
SMILES
CC1=CC=C(C=C1)CO[C@@H]2CCNC2.Cl
InChI
InChI=1S/C12H17NO.ClH/c1-10-2-4-11(5-3-10)9-14-12-6-7-13-8-12;/h2-5,12-13H,6-9H2,1H3;1H/t12-;/m1./s1
InChIKey
RSVSJIDDCJEPCR-UTONKHPSSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.49
TPSA
21.26
LogP / Solubility
WLOGP
2.3
MLOGP
2.02
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.48
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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