CAS RN: 1260619-16-6
(R)-3-(3-Bromo-phenoxy)-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.20250827 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR926558
1260619-16-6 / (3R)-3-(3-bromophenoxy)pyrrolidine;hydrochloride
Basic Information
CAS
1260619-16-6
Multi CAS
No
Molecular Formula
C10H13BrClNO
Molecular Weight
278.570000
Exact Mass
276.986900
SMILES
C1CNC[C@@H]1OC2=CC(=CC=C2)Br.Cl
InChI
InChI=1S/C10H12BrNO.ClH/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10;/h1-3,6,10,12H,4-5,7H2;1H/t10-;/m1./s1
InChIKey
CBHYADKFFREZNK-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.29
TPSA
21.26
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
2.61
Consensus LogP
2.51
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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