CAS RN: 764650-90-0
(1R,2R)-2-(2,5-DIMETHYL-1H-PYRROL-1-YL)CYCLOHEXANAMINE
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.20250809 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS764650-90-0
- Purity/Analytical Methods: >99.0%
764650-90-0 / trans-(1R,2R)-2-(2,5-dimethylpyrrol-1-yl)cyclohexan-1-amine
Basic Information
CAS
764650-90-0
Multi CAS
Yes
Molecular Formula
C12H20N2
Molecular Weight
192.300000
Exact Mass
192.162649
InChI
InChI=1S/C12H20N2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13/h7-8,11-12H,3-6,13H2,1-2H3/t11-,12-/m1/s1
InChIKey
MVHWBCPGJWWEQG-VXGBXAGGSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.39
TPSA
30.95
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
1.8
Consensus LogP
2.2
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-2.08
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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![CAS 764667-65-4 (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/764667-65-4.gif)
