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CAS 1187857-13-1 R- N-Methyl-[1,1′-Binaphthalene]-2,2′-diaMine molecular structure lightbox
CAS RN: 1187857-13-1

R- N-Methyl-[1,1′-Binaphthalene]-2,2′-diaMine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1187857-13-1
  • Purity/Analytical Methods: >99.0%
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1187857-13-1 / 1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine

(R)-N-Methyl-[1,1'-binaphthalene]-2,2'-diamine | 1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine | R- N-Methyl-[1,1'-Binaphthalene]-2,2'-diaMine

Standard CAS: 1187857-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187857-13-1
Multi CAS
No
Molecular Formula
C21H18N2
Molecular Weight
298.400000
Exact Mass
298.146999
SMILES
CNC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)N
InChI
InChI=1S/C21H18N2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,23H,22H2,1H3
InChIKey
SNDHBKHOJVXISS-UHFFFAOYSA-N
Synonyms
(R)-N-Methyl-[1,1'-binaphthalene]-2,2'-diamine 1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine R- N-Methyl-[1,1'-Binaphthalene]-2,2'-diaMine CS-0087870 N2-methyl-[1,1'-binaphthalene]-2,2'-diamine

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
20
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
100.85
TPSA
38.05

LogP / Solubility

WLOGP
5.28
MLOGP
4.66
XLogP3
5.4
Consensus LogP
5.11
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.79

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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