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CAS 135759-57-8 S-N,N,N’,N’-tetramethyl-1,1′-binaphthyldiamine molecular structure lightbox
CAS RN: 135759-57-8

S-N,N,N’,N’-tetramethyl-1,1′-binaphthyldiamine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260510 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS135759-57-8
  • Purity/Analytical Methods: >99.0%
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135759-57-8 / 1-[2-(dimethylamino)naphthalen-1-yl]-N,N-dimethylnaphthalen-2-amine

Standard CAS: 135759-57-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135759-57-8
Multi CAS
No
Molecular Formula
C24H24N2
Molecular Weight
340.500000
Exact Mass
340.193949
SMILES
CN(C)C1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)N(C)C
InChI
InChI=1S/C24H24N2/c1-25(2)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)26(3)4/h5-16H,1-4H3
InChIKey
NHTQTYUFYWSGPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
20
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
115.54
TPSA
6.48

LogP / Solubility

WLOGP
5.79
MLOGP
5.11
XLogP3
6.3
Consensus LogP
5.73
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
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
No
Log Kp (skin permeation)
-0.68

Drug-likeness / Medicinal Chemistry

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

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