CAS RN: 1630906-51-2
trans-3-(4-Fluoro-2-methoxyphenoxy)cyclobutanamine 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.20250505 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1630906-51-2
- Purity/Analytical Methods: >99.0%
1630906-51-2 / 3-(4-fluoro-2-methoxyphenoxy)cyclobutan-1-amine;hydrochloride
Basic Information
CAS
1630906-51-2
Multi CAS
No
Molecular Formula
C11H15ClFNO2
Molecular Weight
247.690000
Exact Mass
247.077535
SMILES
COC1=C(C=CC(=C1)F)OC2CC(C2)N.Cl
InChI
InChI=1S/C11H14FNO2.ClH/c1-14-11-4-7(12)2-3-10(11)15-9-5-8(13)6-9;/h2-4,8-9H,5-6,13H2,1H3;1H
InChIKey
DCEJUCWVODQEBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.83
TPSA
44.48
LogP / Solubility
WLOGP
2.12
MLOGP
1.88
XLogP3
2.12
Consensus LogP
2.04
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1630906-54-5 tert-Butyl (4-aminobicyclo[2.2.2]octan-1-yl)carbamate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-Butyl (4-aminobicyclo[2.2.2]octan-1-yl)carbamate
- CAS RN: 1630906-54-5
- Product Code: SSC-070743
-
methyl 2-exo-(8-benzyl-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl)acetate
- CAS RN: 1630906-57-8
- Product Code: SSC-070744
-
6,6-Difluoro-3-azabicyclo[3.1.0]hexane heMioxalate
- CAS RN: 1630906-58-9
- Product Code: SSC-070745
-
2,4-dichloro-6-(methylsulfanyl)pyrimidin-5-amine
- CAS RN: 1630906-59-0
- Product Code: SSC-070746
-
tert-butyl 2,5-diazaspiro[3.4]octane-5-carboxylate hemioxalate
- CAS RN: 1630906-60-3
- Product Code: SSC-070747
-
cis-3-AMino-1-Methylcyclobutanecarboxylic acid hydrochloride
- CAS RN: 1630906-61-4
- Product Code: starshine_CAS1630906-61-4
- Purity/Analytical method: >99.0%
![CAS 1630906-54-5 tert-Butyl (4-aminobicyclo[2.2.2]octan-1-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630906-54-5.gif)
![CAS 1630906-57-8 methyl 2-exo-(8-benzyl-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl)acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630906-57-8.gif)
![CAS 1630906-58-9 6,6-Difluoro-3-azabicyclo[3.1.0]hexane heMioxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630906-58-9.gif)
![CAS 1630906-60-3 tert-butyl 2,5-diazaspiro[3.4]octane-5-carboxylate hemioxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630906-60-3.gif)
