CAS RN: 79389-36-9
(1S,2R)-2-MethylcyclohexanaMine
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.20251118 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS79389-36-9
- Purity/Analytical Methods: >99.0%
79389-36-9 / 2-methylcyclohexan-1-amine
Basic Information
CAS
79389-36-9
Multi CAS
Yes
Molecular Formula
C7H15N
Molecular Weight
113.200000
Exact Mass
113.120449
InChI
InChI=1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKey
FEUISMYEFPANSS-RQJHMYQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.61
TPSA
26.02
LogP / Solubility
WLOGP
1.52
MLOGP
1.33
XLogP3
1.6
Consensus LogP
1.48
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-2.33
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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