CAS RN: 149520-74-1
3-AMINOCYCLOHEXANONE
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.20251211 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS149520-74-1
- Purity/Analytical Methods: >99.0%
149520-74-1 / 3-aminocyclohexan-1-one
Basic Information
CAS
149520-74-1
Multi CAS
No
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
SMILES
C1CC(CC(=O)C1)N
InChI
InChI=1S/C6H11NO/c7-5-2-1-3-6(8)4-5/h5H,1-4,7H2
InChIKey
ASBBDDWCPOFASB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.45
TPSA
43.09
LogP / Solubility
WLOGP
0.46
MLOGP
0.39
XLogP3
-0.5
Consensus LogP
0.12
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
1H-Imidazole-4-carboxylicacid,2-amino-,ethylester(9CI)
- CAS RN: 149520-94-5
- Product Code: SSC-059533
-
(R)-3-(3-FLUOROPHENYL)-5-(HYDROXYMETHYL)OXAZOLIDIN-2-ONE
- CAS RN: 149524-42-5
- Product Code: SSC-059534
-
(S)-N-[3-(3-FLUORO-4-IODO-PHENYL)-2-OXO-OXAZOLIDIN-5-YLMETHYL]-ACETAMIDE
- CAS RN: 149524-45-8
- Product Code: SSC-059535
-
-
-
1,3,5-TRIS(AMINOMETHYL)-2,4,6-TRIETHYLBENZENE
- CAS RN: 149525-65-5
- Product Code: SSC-059538
![CAS 149524-45-8 (S)-N-[3-(3-FLUORO-4-IODO-PHENYL)-2-OXO-OXAZOLIDIN-5-YLMETHYL]-ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149524-45-8.gif)
