CAS RN: 1010811-74-1
S,S-2-BenzyloxycyclohexylaMine 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.20250427 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1010811-74-1
- Purity/Analytical Methods: >99.0%
1010811-74-1 / trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine;hydrochloride
(1S,2S)-2-(Benzyloxy)cyclohexanamine hydrochloride | (1S,2S)-2-(benzyloxy)cyclohexan-1-amine HCl | (1S,2S)-2-(benzyloxy)cyclohexan-1-amine hydrochloride
Basic Information
CAS
1010811-74-1
Multi CAS
Yes
Molecular Formula
C13H20ClNO
Molecular Weight
241.760000
Exact Mass
241.123342
SMILES
C1CC[C@@H]([C@H](C1)N)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C13H19NO.ClH/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;/h1-3,6-7,12-13H,4-5,8-10,14H2;1H/t12-,13-;/m0./s1
InChIKey
ODDBKOFUCJGDJN-QNTKWALQSA-N
Synonyms
(1S,2S)-2-(Benzyloxy)cyclohexanamine hydrochloride
(1S,2S)-2-(benzyloxy)cyclohexan-1-amine HCl
(1S,2S)-2-(benzyloxy)cyclohexan-1-amine hydrochloride
(1S,2S)-2-phenylmethoxycyclohexan-1-amine;hydrochloride
Cyclohexanamine, 2-(phenylmethoxy)-, hydrochloride (1:1), (1S,2S)-
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.71
TPSA
35.25
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.89
Consensus LogP
2.78
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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