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CAS 220665-51-0 (1R,2R)-1,2-di(naphthalen-2-yl)ethane-1,2-diamine molecular structure lightbox
CAS RN: 220665-51-0

(1R,2R)-1,2-di(naphthalen-2-yl)ethane-1,2-diamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260618 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS220665-51-0
  • Purity/Analytical Methods: >99.0%
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220665-51-0 / (1S,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine

Standard CAS: 220665-51-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220665-51-0
Multi CAS
No
Molecular Formula
C22H20N2
Molecular Weight
312.400000
Exact Mass
312.162649
SMILES
C1=CC=C2C=C(C=CC2=C1)[C@@H]([C@H](C3=CC4=CC=CC=C4C=C3)N)N
InChI
InChI=1S/C22H20N2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21-22H,23-24H2/t21-,22-/m0/s1
InChIKey
FAHMSYSXFWQYOW-VXKWHMMOSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
101.75
TPSA
52.04

LogP / Solubility

WLOGP
4.69
MLOGP
4.14
XLogP3
3.9
Consensus LogP
4.24
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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