CAS RN: 1010811-75-2
R,R-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.20250507 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1010811-75-2
- Purity/Analytical Methods: >99.0%
1010811-75-2 / trans-(1R,2R)-2-phenylmethoxycyclohexan-1-amine;hydrochloride
(1R,2R)-2-(Benzyloxy)cyclohexanamine hydrochloride | (1R,2R)-2-phenylmethoxycyclohexan-1-amine;hydrochloride | (1R,2R)-2-(BENZYLOXY)CYCLOHEXAN-1-AMINE HYDROCHLORIDE
Basic Information
CAS
1010811-75-2
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-;/m1./s1
InChIKey
ODDBKOFUCJGDJN-OJERSXHUSA-N
Synonyms
(1R,2R)-2-(Benzyloxy)cyclohexanamine hydrochloride
(1R,2R)-2-phenylmethoxycyclohexan-1-amine;hydrochloride
(1R,2R)-2-(BENZYLOXY)CYCLOHEXAN-1-AMINE HYDROCHLORIDE
Rel-(1R,2R)-2-(benzyloxy)cyclohexan-1-amine hydrochloride
Cyclohexanamine, 2-(phenylmethoxy)-, hydrochloride (1:1), (1R,2R)-
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
Customers Also Viewed
-
![CAS 1010814-94-4 3-PIPERIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-OXO-, 1,1-DIMETHYLETHYL ESTER molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-PIPERIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-OXO-, 1,1-DIMETHYLETHYL ESTER
- CAS RN: 1010814-94-4
- Product Code: starshine_CAS1010814-94-4
- Purity/Analytical method: >99.0%
-
-
2-CARBOXYTHIOPHENE-4-BORONIC ACID PINACOL ESTER
- CAS RN: 1010836-19-7
- Product Code: SSC-001936
-
(1,1-dioxo-1λ-thian-4-yl)methyl methanesulfonate
- CAS RN: 1010836-46-0
- Product Code: SSC-001937
-
Tetrahydro-4-methoxy-2H-pyran-4-carboxylic acid
- CAS RN: 1010836-49-3
- Product Code: SSC-001938
-
![CAS 1010814-94-4 3-PIPERIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-OXO-, 1,1-DIMETHYLETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1010814-94-4.gif)
