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CAS 253337-60-9 (R)-N-(1-(naphthalen-1-yl)ethyl)-3-(M-tolyl)propan-1-aMine molecular structure lightbox
CAS RN: 253337-60-9

(R)-N-(1-(naphthalen-1-yl)ethyl)-3-(M-tolyl)propan-1-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS253337-60-9
  • Purity/Analytical Methods: >99.0%
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253337-60-9 / 3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine

Standard CAS: 253337-60-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
253337-60-9
Multi CAS
Yes
Molecular Formula
C22H25N
Molecular Weight
303.400000
Exact Mass
303.198700
InChI
InChI=1S/C22H25N/c1-17-8-5-9-19(16-17)10-7-15-23-18(2)21-14-6-12-20-11-3-4-13-22(20)21/h3-6,8-9,11-14,16,18,23H,7,10,15H2,1-2H3/t18-/m1/s1
InChIKey
BREGDWXNNPCUFR-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
99.87
TPSA
12.03

LogP / Solubility

WLOGP
5.43
MLOGP
4.79
XLogP3
5.6
Consensus LogP
5.27
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.86
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)
-0.71

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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