CAS RN: 65992-66-7

N,N,N’,N’-tetrakis(2,3-epoxypropyl)cyclohexane-1,3-dimethylamine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shandong, Shanghai, Guangdong, Hebei Inquiry
  • Product code: starshine_CAS65992-66-7
  • Purity/Analytical Methods: >99.0%
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65992-66-7 / 1-[3-[[bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(oxiran-2-ylmethyl)methanamine

Standard CAS: 65992-66-7 Multi CAS: Yes

Basic Information

CAS
65992-66-7
Multi CAS
Yes
Molecular Formula
C20H34N2O4
Molecular Weight
366.500000
Exact Mass
366.251858
InChI
InChI=1S/C20H34N2O4/c1-2-15(5-21(7-17-11-23-17)8-18-12-24-18)4-16(3-1)6-22(9-19-13-25-19)10-20-14-26-20/h15-20H,1-14H2
InChIKey
HASUCEDGKYJBDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
97.29
TPSA
56.6

LogP / Solubility

WLOGP
0.99
MLOGP
0.89
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-4.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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