CAS RN: 191480-61-2
1S,2S-N,N’-bis(phenylMethyl)-1,2-CyclohexanediaMine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251125 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS191480-61-2
- Purity/Analytical Methods: >99.0%
191480-61-2 / trans-(1S,2S)-1-N,2-N-dibenzylcyclohexane-1,2-diamine
Basic Information
CAS
191480-61-2
Multi CAS
No
Molecular Formula
C20H26N2
Molecular Weight
294.400000
Exact Mass
294.209599
SMILES
C1CC[C@@H]([C@H](C1)NCC2=CC=CC=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C20H26N2/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18/h1-6,9-12,19-22H,7-8,13-16H2/t19-,20-/m0/s1
InChIKey
SJBYIGXWWGSEES-PMACEKPBSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
92.61
TPSA
24.06
LogP / Solubility
WLOGP
3.88
MLOGP
3.42
XLogP3
3.7
Consensus LogP
3.67
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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