CAS RN: 822519-90-4
1,2-Ethanediamine, 1,2-bis(4-chlorophenyl)-, (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.20250517 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS822519-90-4
- Purity/Analytical Methods: >99.0%
822519-90-4 / 1,2-bis(4-chlorophenyl)ethane-1,2-diamine
Basic Information
CAS
822519-90-4
Multi CAS
Yes
Molecular Formula
C14H14CL2N2
Molecular Weight
281.200000
Exact Mass
280.053404
InChI
InChI=1S/C14H14Cl2N2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14H,17-18H2/t13-,14-/m1/s1
InChIKey
HHPPUZSHKRJDIW-ZIAGYGMSSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.76
TPSA
52.04
LogP / Solubility
WLOGP
3.69
MLOGP
3.26
XLogP3
2.7
Consensus LogP
3.22
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
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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