CAS RN: 872595-06-7
1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)-
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.20250510 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS872595-06-7
- Purity/Analytical Methods: >99.0%
872595-06-7 / (1R,2R)-1,2-bis(4-methylphenyl)ethane-1,2-diamine
Basic Information
CAS
872595-06-7
Multi CAS
Yes
Molecular Formula
C16H20N2
Molecular Weight
240.340000
Exact Mass
240.162649
InChI
InChI=1S/C16H20N2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15-16H,17-18H2,1-2H3/t15-,16-/m1/s1
InChIKey
UQUZLWQGLCLOBD-HZPDHXFCSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.21
TPSA
52.04
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
2.1
Consensus LogP
2.58
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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