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CAS 921212-80-8 S-N,N-diMethyl-[1,1′-Binaphthalene]-2,2′-diaMine molecular structure lightbox
CAS RN: 921212-80-8

S-N,N-diMethyl-[1,1′-Binaphthalene]-2,2′-diaMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS921212-80-8
  • Purity/Analytical Methods: >99.0%
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921212-80-8 / 1-[2-(dimethylamino)naphthalen-1-yl]naphthalen-2-amine

Standard CAS: 921212-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
921212-80-8
Multi CAS
No
Molecular Formula
C22H20N2
Molecular Weight
312.400000
Exact Mass
312.162649
InChI
InChI=1S/C22H20N2/c1-24(2)20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23/h3-14H,23H2,1-2H3
InChIKey
WJVCDEJWPSGKLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
105.63
TPSA
29.26

LogP / Solubility

WLOGP
5.31
MLOGP
4.68
XLogP3
5.5
Consensus LogP
5.16
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble

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)
-0.86

Drug-likeness / Medicinal Chemistry

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

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