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CAS 97075-46-2 1,2-EthanediaMine, N,N’-bis(diphenylMethyl)-, dihydrochloride molecular structure lightbox
CAS RN: 97075-46-2

1,2-EthanediaMine, N,N’-bis(diphenylMethyl)-, dihydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250926 10mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS97075-46-2
  • Purity/Analytical Methods: >99.0%
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97075-46-2 / N,N'-dibenzhydrylethane-1,2-diamine;hydrochloride

Standard CAS: 97075-46-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97075-46-2
Multi CAS
Yes
Molecular Formula
C28H29CLN2
Molecular Weight
429.000000
Exact Mass
428.201927
InChI
InChI=1S/C28H28N2.2ClH/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;2*1H
InChIKey
YRQCDCNQANSUPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
132.71
TPSA
24.06

LogP / Solubility

WLOGP
6.17
MLOGP
5.45
XLogP3
6.17
Consensus LogP
5.93
Log S (ESOL)
-6.36
Class (ESOL)
Insoluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.65
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)
-0.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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