CAS RN: 1033605-25-2
(1R,2R)-2-(benzylaMino)cyclopentanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260602 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1033605-25-2
- Purity/Analytical Methods: >99.0%
1033605-25-2 / trans-(1R,2R)-2-(benzylamino)cyclopentan-1-ol
2-(BENZYLAMINO)CYCLOPENTAN-1-OL | 2-(Benzylamino)cyclopentanol | MFCD12762019
Basic Information
CAS
1033605-25-2
Multi CAS
Yes
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
SMILES
C1C[C@H]([C@@H](C1)O)NCC2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c14-12-8-4-7-11(12)13-9-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2/t11-,12-/m1/s1
InChIKey
FEGVMDAESGIXLU-VXGBXAGGSA-N
Synonyms
2-(BENZYLAMINO)CYCLOPENTAN-1-OL
2-(Benzylamino)cyclopentanol
MFCD12762019
trans-2-(benzylamino)cyclopentanol
(1R,2R)-trans-2-(N-benzyl)aMino-1-cyclopentanol
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.93
TPSA
32.26
LogP / Solubility
WLOGP
1.69
MLOGP
1.49
XLogP3
1.6
Consensus LogP
1.59
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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