CAS RN: 83027-13-8
AMN082 DIHYDROCHLORIDE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS83027-13-8
- Purity/Analytical Methods: >99.0%
83027-13-8 / N,N'-dibenzhydrylethane-1,2-diamine
Basic Information
CAS
83027-13-8
Multi CAS
Yes
Molecular Formula
C28H28N2
Molecular Weight
392.500000
Exact Mass
392.225249
InChI
InChI=1S/C28H28N2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30H,21-22H2
InChIKey
DTZDSNQYNPNCPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
125.46
TPSA
24.06
LogP / Solubility
WLOGP
5.74
MLOGP
5.08
XLogP3
5.7
Consensus LogP
5.51
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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